CHEMBL3143277
SMILES | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(=N)N)cc1)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccs1)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O |
InChIKey | ATWPMNBULMFRAH-LJWNLINESA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 10 |
Rotatable bonds | 20 |
Molecular weight (Da) | 765.4 |
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 | 7.6 | 7.6 | 7.6 | ChEMBL |
PAR1 | PAR1 | Human | Proteinase-activated | A | pEC50 | 7.0 | 7.0 | 7.0 | ChEMBL |