Ligand source activities (1 row/activity)



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Ligands Receptor Assay information Chemical information
Sel. page Common
name		 GPCRdb ID #Vendors Reference
ligand		 Fold selectivity
(Potency)		 # tested GPCRs
(Potency)		 Species p-value
(-log)		 Type Activity
Relation		 Activity
Value		 Assay Type Assay Description Source Mol
weight		 Rot
Bonds		 H don H acc LogP Smiles DOI
136036237 188054 0 None -3 2 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human MrgX2 receptorAgonist activity at human MrgX2 receptor
ChEMBL 632 7 3 6 5.9 CCC(C)[C@H]1C(=O)Nc2ccc(N3CCC(NC(C)=O)C3)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21 10.1016/j.bmcl.2009.01.085
CHEMBL503202 188054 0 None -3 2 Human 5.9 pEC50 = 5.9 Functional
Agonist activity at human MrgX2 receptorAgonist activity at human MrgX2 receptor
ChEMBL 632 7 3 6 5.9 CCC(C)[C@H]1C(=O)Nc2ccc(N3CCC(NC(C)=O)C3)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21 10.1016/j.bmcl.2009.01.085
136036259 188078 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human MrgX2 receptorAgonist activity at human MrgX2 receptor
ChEMBL 550 6 2 6 5.6 CC(C)[C@H]1C(=O)Nc2ccc(NCc3ccccc3)cc2-c2nc3cc(C(=O)N(C)C4CCN(C)CC4)ccc3n21 10.1016/j.bmcl.2009.01.085
CHEMBL503688 188078 0 None - 1 Human 6.8 pEC50 = 6.8 Functional
Agonist activity at human MrgX2 receptorAgonist activity at human MrgX2 receptor
ChEMBL 550 6 2 6 5.6 CC(C)[C@H]1C(=O)Nc2ccc(NCc3ccccc3)cc2-c2nc3cc(C(=O)N(C)C4CCN(C)CC4)ccc3n21 10.1016/j.bmcl.2009.01.085
136036261 188166 0 None -10 2 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at human MrgX2 receptorAgonist activity at human MrgX2 receptor
ChEMBL 632 9 3 6 7.1 CCC(C)[C@H]1C(=O)Nc2ccc(NCCN3CCCCC3)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21 10.1016/j.bmcl.2009.01.085
CHEMBL505263 188166 0 None -10 2 Human 5.7 pEC50 = 5.7 Functional
Agonist activity at human MrgX2 receptorAgonist activity at human MrgX2 receptor
ChEMBL 632 9 3 6 7.1 CCC(C)[C@H]1C(=O)Nc2ccc(NCCN3CCCCC3)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21 10.1016/j.bmcl.2009.01.085
135407952 1043 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human MrgX2 receptorAgonist activity at human MrgX2 receptor
ChEMBL 542 4 2 6 5.8 CN1CCCN(CC1)C(=O)c1ccc2c(c1)nc1n2[C@@H](C(C)C)C(=O)Nc2c1cc(cc2)NC1CCCCCC1 10.1016/j.bmcl.2009.01.085
5530 1043 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human MrgX2 receptorAgonist activity at human MrgX2 receptor
ChEMBL 542 4 2 6 5.8 CN1CCCN(CC1)C(=O)c1ccc2c(c1)nc1n2[C@@H](C(C)C)C(=O)Nc2c1cc(cc2)NC1CCCCCC1 10.1016/j.bmcl.2009.01.085
CHEMBL463274 1043 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
Agonist activity at human MrgX2 receptorAgonist activity at human MrgX2 receptor
ChEMBL 542 4 2 6 5.8 CN1CCCN(CC1)C(=O)c1ccc2c(c1)nc1n2[C@@H](C(C)C)C(=O)Nc2c1cc(cc2)NC1CCCCCC1 10.1016/j.bmcl.2009.01.085
135869412 187859 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human MrgX2 receptorAgonist activity at human MrgX2 receptor
ChEMBL 619 6 1 7 5.3 CC(C)[C@H]1C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2-c2nc3cc(C(=O)N(C)C4CCN(C)CC4)ccc3n21 10.1016/j.bmcl.2009.01.085
CHEMBL502480 187859 0 None - 1 Human 6.4 pEC50 = 6.4 Functional
Agonist activity at human MrgX2 receptorAgonist activity at human MrgX2 receptor
ChEMBL 619 6 1 7 5.3 CC(C)[C@H]1C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2-c2nc3cc(C(=O)N(C)C4CCN(C)CC4)ccc3n21 10.1016/j.bmcl.2009.01.085
CHEMBL2448526 208755 0 None - 1 Human 6.3 pEC50 = 6.3 Functional
Agonist activity at human MrgX2 receptorAgonist activity at human MrgX2 receptor
ChEMBL None None None C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2)CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC1=O 10.1016/j.bmcl.2009.01.085
135407930 187836 0 None -10 2 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human MrgX2 receptorAgonist activity at human MrgX2 receptor
ChEMBL 606 10 3 6 6.6 CCC(C)[C@H]1C(=O)Nc2ccc(NCCCN(C)C)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21 10.1016/j.bmcl.2009.01.085
CHEMBL502132 187836 0 None -10 2 Human 6.2 pEC50 = 6.2 Functional
Agonist activity at human MrgX2 receptorAgonist activity at human MrgX2 receptor
ChEMBL 606 10 3 6 6.6 CCC(C)[C@H]1C(=O)Nc2ccc(NCCCN(C)C)cc2-c2nc3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccc3n21 10.1016/j.bmcl.2009.01.085
164734529 190245 2 None - 1 Human 8.6 pIC50 = 8.6 Functional
Antagonist activity at human MRGPRX2 expressed in HEK293 cells co-expressing mouse Galpha15 assessed as inhibition of Cortistatin-14 induced Ca2+ mobilization preincubated for 30 mins followed by Cortistatin-14 addition by FLIPRtetra-calcium mobilization assayAntagonist activity at human MRGPRX2 expressed in HEK293 cells co-expressing mouse Galpha15 assessed as inhibition of Cortistatin-14 induced Ca2+ mobilization preincubated for 30 mins followed by Cortistatin-14 addition by FLIPRtetra-calcium mobilization assay
ChEMBL 491 6 1 6 3.6 C[C@@H](C(=O)Nc1cnc(Oc2ccc(F)cc2F)cn1)N1CCC(F)(F)[C@@H](c2cc[n+]([O-])cc2)C1 10.1021/acsmedchemlett.2c00262
CHEMBL5184300 190245 2 None - 1 Human 8.6 pIC50 = 8.6 Functional
Antagonist activity at human MRGPRX2 expressed in HEK293 cells co-expressing mouse Galpha15 assessed as inhibition of Cortistatin-14 induced Ca2+ mobilization preincubated for 30 mins followed by Cortistatin-14 addition by FLIPRtetra-calcium mobilization assayAntagonist activity at human MRGPRX2 expressed in HEK293 cells co-expressing mouse Galpha15 assessed as inhibition of Cortistatin-14 induced Ca2+ mobilization preincubated for 30 mins followed by Cortistatin-14 addition by FLIPRtetra-calcium mobilization assay
ChEMBL 491 6 1 6 3.6 C[C@@H](C(=O)Nc1cnc(Oc2ccc(F)cc2F)cn1)N1CCC(F)(F)[C@@H](c2cc[n+]([O-])cc2)C1 10.1021/acsmedchemlett.2c00262
9567 3693 6 None -1819 3 Human 5.7 pEC50 = 5.7 Functional
Assayed using racemic TAN-67, the more active stereoisomer is the (4aS,12aR).Assayed using racemic TAN-67, the more active stereoisomer is the (4aS,12aR).
Guide to Pharmacology 344 1 1 3 3.9 CN1CC[C@]2([C@H](C1)Cc1c(C2)nc2c(c1)cccc2)c1cccc(c1)O 11765135
9567 3693 6 None -1819 3 Human 5.7 pEC50 = 5.7 Functional
Assayed using racemic TAN-67, the more active stereoisomer is the (4aS,12aR).Assayed using racemic TAN-67, the more active stereoisomer is the (4aS,12aR).
Guide to Pharmacology 344 1 1 3 3.9 CN1CC[C@]2([C@H](C1)Cc1c(C2)nc2c(c1)cccc2)c1cccc(c1)O 23396314
9567 3693 6 None -1819 3 Human 5.7 pEC50 = 5.7 Functional
Assayed using racemic TAN-67, the more active stereoisomer is the (4aS,12aR).Assayed using racemic TAN-67, the more active stereoisomer is the (4aS,12aR).
Guide to Pharmacology 344 1 1 3 3.9 CN1CC[C@]2([C@H](C1)Cc1c(C2)nc2c(c1)cccc2)c1cccc(c1)O 28288109
9950038 3693 6 None -1819 3 Human 5.7 pEC50 = 5.7 Functional
Assayed using racemic TAN-67, the more active stereoisomer is the (4aS,12aR).Assayed using racemic TAN-67, the more active stereoisomer is the (4aS,12aR).
Guide to Pharmacology 344 1 1 3 3.9 CN1CC[C@]2([C@H](C1)Cc1c(C2)nc2c(c1)cccc2)c1cccc(c1)O 11765135
9950038 3693 6 None -1819 3 Human 5.7 pEC50 = 5.7 Functional
Assayed using racemic TAN-67, the more active stereoisomer is the (4aS,12aR).Assayed using racemic TAN-67, the more active stereoisomer is the (4aS,12aR).
Guide to Pharmacology 344 1 1 3 3.9 CN1CC[C@]2([C@H](C1)Cc1c(C2)nc2c(c1)cccc2)c1cccc(c1)O 23396314
9950038 3693 6 None -1819 3 Human 5.7 pEC50 = 5.7 Functional
Assayed using racemic TAN-67, the more active stereoisomer is the (4aS,12aR).Assayed using racemic TAN-67, the more active stereoisomer is the (4aS,12aR).
Guide to Pharmacology 344 1 1 3 3.9 CN1CC[C@]2([C@H](C1)Cc1c(C2)nc2c(c1)cccc2)c1cccc(c1)O 28288109
CHEMBL327745 3693 6 None -1819 3 Human 5.7 pEC50 = 5.7 Functional
Assayed using racemic TAN-67, the more active stereoisomer is the (4aS,12aR).Assayed using racemic TAN-67, the more active stereoisomer is the (4aS,12aR).
Guide to Pharmacology 344 1 1 3 3.9 CN1CC[C@]2([C@H](C1)Cc1c(C2)nc2c(c1)cccc2)c1cccc(c1)O 11765135
CHEMBL327745 3693 6 None -1819 3 Human 5.7 pEC50 = 5.7 Functional
Assayed using racemic TAN-67, the more active stereoisomer is the (4aS,12aR).Assayed using racemic TAN-67, the more active stereoisomer is the (4aS,12aR).
Guide to Pharmacology 344 1 1 3 3.9 CN1CC[C@]2([C@H](C1)Cc1c(C2)nc2c(c1)cccc2)c1cccc(c1)O 23396314
CHEMBL327745 3693 6 None -1819 3 Human 5.7 pEC50 = 5.7 Functional
Assayed using racemic TAN-67, the more active stereoisomer is the (4aS,12aR).Assayed using racemic TAN-67, the more active stereoisomer is the (4aS,12aR).
Guide to Pharmacology 344 1 1 3 3.9 CN1CC[C@]2([C@H](C1)Cc1c(C2)nc2c(c1)cccc2)c1cccc(c1)O 28288109
10567 1807 0 None -1 3 Human 5.7 pEC50 = 5.7 Functional
Determined in a FLIPR calcium imaging assay using HEK cells heterologously expressing hMRGPRX2Determined in a FLIPR calcium imaging assay using HEK cells heterologously expressing hMRGPRX2
Guide to Pharmacology None None None None 35704588
145996510 1807 0 None -1 3 Human 5.7 pEC50 = 5.7 Functional
Determined in a FLIPR calcium imaging assay using HEK cells heterologously expressing hMRGPRX2Determined in a FLIPR calcium imaging assay using HEK cells heterologously expressing hMRGPRX2
Guide to Pharmacology None None None None 35704588
2098 3638 31 None -2089 11 Human 6.0 pEC50 = 6.0 Functional
In a calcium mobilisation asay.In a calcium mobilisation asay.
Guide to Pharmacology None None None None 25517090
2098 3638 31 None -2089 11 Human 6.0 pEC50 = 6.0 Functional
In a calcium mobilisation asay.In a calcium mobilisation asay.
Guide to Pharmacology None None None None 28288109
36511 3638 31 None -2089 11 Human 6.0 pEC50 = 6.0 Functional
In a calcium mobilisation asay.In a calcium mobilisation asay.
Guide to Pharmacology None None None None 25517090
36511 3638 31 None -2089 11 Human 6.0 pEC50 = 6.0 Functional
In a calcium mobilisation asay.In a calcium mobilisation asay.
Guide to Pharmacology None None None None 28288109
3805 3638 31 None -2089 11 Human 6.0 pEC50 = 6.0 Functional
In a calcium mobilisation asay.In a calcium mobilisation asay.
Guide to Pharmacology None None None None 25517090
3805 3638 31 None -2089 11 Human 6.0 pEC50 = 6.0 Functional
In a calcium mobilisation asay.In a calcium mobilisation asay.
Guide to Pharmacology None None None None 28288109
3835 3638 31 None -2089 11 Human 6.0 pEC50 = 6.0 Functional
In a calcium mobilisation asay.In a calcium mobilisation asay.
Guide to Pharmacology None None None None 25517090
3835 3638 31 None -2089 11 Human 6.0 pEC50 = 6.0 Functional
In a calcium mobilisation asay.In a calcium mobilisation asay.
Guide to Pharmacology None None None None 28288109
CHEMBL235363 3638 31 None -2089 11 Human 6.0 pEC50 = 6.0 Functional
In a calcium mobilisation asay.In a calcium mobilisation asay.
Guide to Pharmacology None None None None 25517090
CHEMBL235363 3638 31 None -2089 11 Human 6.0 pEC50 = 6.0 Functional
In a calcium mobilisation asay.In a calcium mobilisation asay.
Guide to Pharmacology None None None None 28288109
16133849 3619 10 None -66069 4 Human 5.4 pEC50 = 5.4 Functional
In a calcium mobilisation assay.In a calcium mobilisation assay.
Guide to Pharmacology None None None None 23396314
2020 3619 10 None -66069 4 Human 5.4 pEC50 = 5.4 Functional
In a calcium mobilisation assay.In a calcium mobilisation assay.
Guide to Pharmacology None None None None 23396314
91935900 3619 10 None -66069 4 Human 5.4 pEC50 = 5.4 Functional
In a calcium mobilisation assay.In a calcium mobilisation assay.
Guide to Pharmacology None None None None 23396314
CHEMBL501796 3619 10 None -66069 4 Human 5.4 pEC50 = 5.4 Functional
In a calcium mobilisation assay.In a calcium mobilisation assay.
Guide to Pharmacology None None None None 23396314
12988 1550 0 None - 1 Human 5.4 pEC50 = 5.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology 673 5 2 9 6.2 NC1=C(C#N)C2=C(C=CC(F)=C2S1)C3=C(F)C4=NC(OC[C@@]56CCCN5C[C@H](F)C6)=NC(N7CC8CCC(C7)N8)=C4C=C3C(F)(F)F 37321326
164904685 1550 0 None - 1 Human 5.4 pEC50 = 5.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology 673 5 2 9 6.2 NC1=C(C#N)C2=C(C=CC(F)=C2S1)C3=C(F)C4=NC(OC[C@@]56CCCN5C[C@H](F)C6)=NC(N7CC8CCC(C7)N8)=C4C=C3C(F)(F)F 37321326
2855 1085 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 519 16 3 6 4.2 CNCCc1cc(Cc2cc(CCNC)ccc2OC)c(c(c1)Cc1cc(CCNC)ccc1OC)OC 28288109
5531 1085 0 None - 1 Human 5.7 pEC50 = 5.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 519 16 3 6 4.2 CNCCc1cc(Cc2cc(CCNC)ccc2OC)c(c(c1)Cc1cc(CCNC)ccc1OC)OC 28288109
9566 3371 8 None - 1 Human 6.1 pEC50 = 6.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 307 3 0 5 2.5 CN([C@@H]1CCN(C1)c1cc(nc2n1ncc2)c1ccccc1)C 28288109
95882507 3371 8 None - 1 Human 6.1 pEC50 = 6.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 307 3 0 5 2.5 CN([C@@H]1CCN(C1)c1cc(nc2n1ncc2)c1ccccc1)C 28288109
CHEMBL4520293 3371 8 None - 1 Human 6.1 pEC50 = 6.1 Functional
UnclassifiedUnclassified
Guide to Pharmacology 307 3 0 5 2.5 CN([C@@H]1CCN(C1)c1cc(nc2n1ncc2)c1ccccc1)C 28288109
135407952 1043 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 542 4 2 6 5.8 CN1CCCN(CC1)C(=O)c1ccc2c(c1)nc1n2[C@@H](C(C)C)C(=O)Nc2c1cc(cc2)NC1CCCCCC1 19230660
5530 1043 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 542 4 2 6 5.8 CN1CCCN(CC1)C(=O)c1ccc2c(c1)nc1n2[C@@H](C(C)C)C(=O)Nc2c1cc(cc2)NC1CCCCCC1 19230660
CHEMBL463274 1043 0 None - 1 Human 6.5 pEC50 = 6.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 542 4 2 6 5.8 CN1CCCN(CC1)C(=O)c1ccc2c(c1)nc1n2[C@@H](C(C)C)C(=O)Nc2c1cc(cc2)NC1CCCCCC1 19230660
2007 1147 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 12915402
2007 1147 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 15823563
2007 1147 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 23396314
2007 1147 0 None - 1 Human 7.3 pEC50 = 7.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 28288109
4056 2949 0 None - 1 Human 7.5 pEC50 = 7.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology None None None None 15823563


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Ligands Receptor Assay information Chemical information
Sel. page Common
name		 GPCRdb ID #Vendors Reference
ligand		 Fold selectivity
(Affinity)		 # tested GPCRs
(Affinity)		 Species p-value
(-log)		 Type Activity
Relation		 Activity
Value		 Assay Type Assay Description Source Mol
weight		 Rot
Bonds		 H don H acc LogP Smiles DOI
12074028 190292 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Agonistic activity at MRGPRX2 (unknown origin)Agonistic activity at MRGPRX2 (unknown origin)
ChEMBL 344 1 1 3 3.9 CN1CC[C@]2(c3cccc(O)c3)Cc3nc4ccccc4cc3C[C@@H]2C1 10.1016/j.bmcl.2021.128485
CHEMBL5184932 190292 0 None - 0 Human 6.5 pEC50 = 6.5 Binding
Agonistic activity at MRGPRX2 (unknown origin)Agonistic activity at MRGPRX2 (unknown origin)
ChEMBL 344 1 1 3 3.9 CN1CC[C@]2(c3cccc(O)c3)Cc3nc4ccccc4cc3C[C@@H]2C1 10.1016/j.bmcl.2021.128485
9566 3371 8 None - 2 Human 6.1 pEC50 = 6.1 Binding
Affinity On-target Cellular interaction (PRESTO-Tango concentration response assay (by the NIMH-PDSP)) EUB0000353a MRGPRX2Affinity On-target Cellular interaction (PRESTO-Tango concentration response assay (by the NIMH-PDSP)) EUB0000353a MRGPRX2
ChEMBL 307 3 0 5 2.5 CN([C@@H]1CCN(C1)c1cc(nc2n1ncc2)c1ccccc1)C nan
95882507 3371 8 None - 2 Human 6.1 pEC50 = 6.1 Binding
Affinity On-target Cellular interaction (PRESTO-Tango concentration response assay (by the NIMH-PDSP)) EUB0000353a MRGPRX2Affinity On-target Cellular interaction (PRESTO-Tango concentration response assay (by the NIMH-PDSP)) EUB0000353a MRGPRX2
ChEMBL 307 3 0 5 2.5 CN([C@@H]1CCN(C1)c1cc(nc2n1ncc2)c1ccccc1)C nan
CHEMBL4520293 3371 8 None - 2 Human 6.1 pEC50 = 6.1 Binding
Affinity On-target Cellular interaction (PRESTO-Tango concentration response assay (by the NIMH-PDSP)) EUB0000353a MRGPRX2Affinity On-target Cellular interaction (PRESTO-Tango concentration response assay (by the NIMH-PDSP)) EUB0000353a MRGPRX2
ChEMBL 307 3 0 5 2.5 CN([C@@H]1CCN(C1)c1cc(nc2n1ncc2)c1ccccc1)C nan
129072557 176632 5 None - 0 Human 6.1 pEC50 = 6.1 Binding
Agonist activity at MRGPX2 (unknown origin)Agonist activity at MRGPX2 (unknown origin)
ChEMBL 763 9 5 10 3.1 Cc1cc(C[C@@H](NC(=O)N2CCC3(CC2)OC(=O)Nc2ncccc23)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(c3ccncc3)CC2)cc2cn[nH]c12 10.1021/acs.jmedchem.0c01003
CHEMBL4635331 176632 5 None - 0 Human 6.1 pEC50 = 6.1 Binding
Agonist activity at MRGPX2 (unknown origin)Agonist activity at MRGPX2 (unknown origin)
ChEMBL 763 9 5 10 3.1 Cc1cc(C[C@@H](NC(=O)N2CCC3(CC2)OC(=O)Nc2ncccc23)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(c3ccncc3)CC2)cc2cn[nH]c12 10.1021/acs.jmedchem.0c01003