FR191413
SMILES | COc1nc2c(n1Cc1ccccn1)cccc2OCc1c(Cl)ccc(c1Cl)N(C(=O)CNC(=O)/C=C/c1ccc(nc1)NC(=O)C)C |
InChIKey | KXMCFJQQOFOBKN-RVDMUPIBSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 2 |
Rotatable bonds | 12 |
Molecular weight (Da) | 687.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
B2 | BKRB2 | Human | Bradykinin | A | pIC50 | 9.16 | 9.16 | 9.17 | ChEMBL |
B2 | BKRB2 | Human | Bradykinin | A | pIC50 | 9.2 | 9.2 | 9.2 | Guide to Pharmacology |
B2 | BKRB2 | Guinea pig | Bradykinin | A | pIC50 | 8.2 | 8.2 | 8.2 | ChEMBL |