CHEMBL287368
SMILES | N=C(N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1n[nH]c(NC(=O)/C=C/c2cccc(Cl)c2)n1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |
InChIKey | XAICIXVWSSVFLB-FIVJMQNTSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 9 |
Rotatable bonds | 18 |
Molecular weight (Da) | 747.3 |
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 |
PAR1 | PAR1 | Human | Proteinase-activated | A | pIC50 | 4.82 | 4.82 | 4.82 | ChEMBL |
PAR1 | PAR1 | Human | Proteinase-activated | A | pEC50 | 5.62 | 5.62 | 5.62 | ChEMBL |