CHEMBL538171
SMILES | CCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2cc(OC(CC)C(=O)N(CC)CC)cc(-c3ccccc3)n2)CC1 |
InChIKey | UOFMHHLNQSQNBM-BXXZMZEQSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 14 |
Molecular weight (Da) | 625.3 |
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 |
P2Y12 | P2Y12 | Human | P2Y | A | pKi | 7.09 | 7.09 | 7.09 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
P2Y12 | P2Y12 | Human | P2Y | A | pIC50 | 5.52 | 5.52 | 5.52 | ChEMBL |