indoramin
SMILES | O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2 |
InChIKey | JXZZEXZZKAWDSP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 2 |
Rotatable bonds | 5 |
Molecular weight (Da) | 347.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
P2Y1 | P2RY1 | Human | P2Y | A | pKi | 4.8 | 4.8 | 4.8 | Guide to Pharmacology |
P2Y4 | P2RY4 | Human | P2Y | A | pKd | 6.2 | 6.2 | 6.2 | Guide to Pharmacology |
P2Y4 | P2RY4 | Human | P2Y | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
P2Y1 | P2RY1 | Human | P2Y | A | pIC50 | 6.1 | 6.95 | 7.8 | Guide to Pharmacology |
P2Y2 | P2RY2 | Human | P2Y | A | pEC50 | 6.64 | 6.87 | 7.1 | Guide to Pharmacology |
P2Y4 | P2RY4 | Human | P2Y | A | pEC50 | 5.37 | 5.37 | 5.37 | Guide to Pharmacology |
P2Y11 | P2Y11 | Human | P2Y | A | pEC50 | 4.2 | 4.9 | 5.6 | Guide to Pharmacology |
P2Y13 | P2Y13 | Human | P2Y | A | pIC50 | 5.4 | 5.4 | 5.4 | Guide to Pharmacology |
GPR17 | GPR17 | Human | A orphans | A | pEC50 | 7.43 | 7.43 | 7.43 | Guide to Pharmacology |
P2Y4 | P2RY4 | Rat | P2Y | A | pEC50 | 5.7 | 6.0 | 6.3 | Guide to Pharmacology |
P2Y4 | P2RY4 | Rat | P2Y | A | pEC50 | 5.75 | 5.75 | 5.75 | ChEMBL |
P2Y1 | P2RY1 | Rat | P2Y | A | pEC50 | 6.23 | 7.21 | 8.7 | ChEMBL |
P2Y11 | P2Y11 | Human | P2Y | A | pEC50 | 4.76 | 5.07 | 5.48 | ChEMBL |
P2Y4 | P2RY4 | Human | P2Y | A | pEC50 | 4.37 | 4.37 | 4.37 | ChEMBL |
P2Y2 | P2RY2 | Human | P2Y | A | pEC50 | 4.93 | 6.72 | 7.52 | ChEMBL |
P2Y1 | P2RY1 | Human | P2Y | A | pEC50 | 5.82 | 6.26 | 6.82 | ChEMBL |
P2Y1 | P2RY1 | Human | P2Y | A | pEC50 | 8.22 | 8.22 | 8.22 | Drug Central |
P2Y2 | P2RY2 | Human | P2Y | A | pEC50 | 8.15 | 8.15 | 8.15 | Drug Central |
P2Y11 | P2Y11 | Human | P2Y | A | pEC50 | 8.29 | 8.29 | 8.29 | Drug Central |
P2Y13 | P2Y13 | Human | P2Y | A | pIC50 | 8.27 | 8.27 | 8.27 | Drug Central |
GPR17 | GPR17 | Human | A orphans | A | pEC50 | 8.13 | 8.13 | 8.13 | Drug Central |
P2Y4 | P2RY4 | Rat | P2Y | A | pEC50 | 8.2 | 8.2 | 8.2 | Drug Central |
P2Y12 | P2Y12 | Rat | P2Y | A | pEC50 | 5.5 | 5.5 | 5.5 | ChEMBL |