CHEMBL3718490
SMILES | COc1cc(OCc2csc(C3(O)CCC(C(=O)N4CCCC4)CC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 |
InChIKey | CANZBHVBEWKJFW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 609.2 |
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 |
PAR4 | PAR4 | Human | Proteinase-activated | A | pEC50 | 9.08 | 9.08 | 9.08 | ChEMBL |
PAR4 | PAR4 | Human | Proteinase-activated | A | pIC50 | 7.58 | 7.58 | 7.58 | ChEMBL |