CHEMBL286837
SMILES | N=C(N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cncc(Br)c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |
InChIKey | MQXKPURKGLZHIO-SDHOMARFSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 7 |
Rotatable bonds | 15 |
Molecular weight (Da) | 656.2 |
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 |
PAR1 | PAR1 | Human | Proteinase-activated | A | pIC50 | 5.77 | 5.77 | 5.77 | ChEMBL |
PAR1 | PAR1 | Human | Proteinase-activated | A | pEC50 | 6.34 | 6.34 | 6.34 | ChEMBL |