LY341495


SMILES OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N
InChIKey VLZBRVJVCCNPRJ-KPHUOKFYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 353.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7MTQ 7FD9 7WI6 7WI8

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Human Histamine A pKi 7.9 7.9 7.9 Guide to Pharmacology
H1 HRH1 Guinea pig Histamine A pKd 7.93 7.93 7.93 ChEMBL
H4 HRH4 Human Histamine A pKi 4.37 4.67 4.96 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.94 6.94 6.94 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 7.28 7.28 7.28 ChEMBL
H1 HRH1 Human Histamine A pKi 7.7 7.77 7.83 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.86 6.86 6.86 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.15 6.15 6.15 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.43 6.43 6.43 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 7.08 7.08 7.08 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.29 6.29 6.29 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.43 6.43 6.43 ChEMBL
H1 HRH1 Human Histamine A pKi 5.0 7.49 8.21 PDSP Ki database
H3 HRH3 Human Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
H4 HRH4 Human Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 7.0 7.0 7.0 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.92 6.92 6.92 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.64 6.64 6.64 PDSP Ki database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.95 6.95 6.95 PDSP Ki database
H1 HRH1 Guinea pig Histamine A pKi 7.86 7.97 8.04 PDSP Ki database
H1 HRH1 Rat Histamine A pKi 7.77 7.77 7.77 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.21 8.21 8.21 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.15 8.15 8.15 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.16 8.16 8.16 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.18 8.18 8.18 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.16 8.16 8.16 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.18 8.18 8.18 Drug Central
H1 HRH1 Human Histamine A pKi 8.11 8.11 8.11 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.59 6.59 6.59 PDSP Ki database
H4 HRH4 Human Histamine A pKi 8.36 8.36 8.36 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Guinea pig Histamine A pIC50 9.0 9.0 9.0 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 5.6 6.15 6.7 ChEMBL
H4 HRH4 Human Histamine A pIC50 4.96 4.96 4.96 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 6.79 6.79 6.79 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 6.43 6.43 6.43 ChEMBL
H1 HRH1 Human Histamine A pIC50 4.08 4.98 6.77 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 6.19 6.19 6.19 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 5.95 5.95 5.95 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 5.98 5.98 5.98 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 6.46 6.46 6.46 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 6.01 6.01 6.01 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 5.89 5.89 5.89 ChEMBL
H1 HRH1 Guinea pig Histamine A pIC50 8.05 8.05 8.05 Drug Central
TSH TSHR Human Glycoprotein hormone A Potency 4.8 4.8 4.8 ChEMBL