CHEMBL33377
SMILES | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1n[nH]c(N)n1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |
InChIKey | AEIMKEWKIBUXFX-UFYCRDLUSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 9 |
Rotatable bonds | 15 |
Molecular weight (Da) | 577.3 |
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 | pEC50 | 6.0 | 6.0 | 6.0 | ChEMBL |
PAR1 | PAR1 | Human | Proteinase-activated | A | pIC50 | 5.7 | 5.7 | 5.7 | ChEMBL |