CHEMBL2431716
SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC(c2ccccc2)CC1 |
InChIKey | GIXATDRQTJETRE-NOOLENRPSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
Molecular weight (Da) | 522.3 |
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 |
PAR2 | PAR2 | Human | Proteinase-activated | A | pIC50 | 5.19 | 6.0 | 7.0 | ChEMBL |
PAR2 | PAR2 | Human | Proteinase-activated | A | pEC50 | 5.66 | 5.68 | 5.7 | ChEMBL |