CHEMBL559126
| SMILES | CCCNc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nc(-c2ccccc2)c1 |
| InChIKey | QIBTUTJUGMWHDQ-NRFANRHFSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 525.3 |
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 | 7.19 | 7.19 | 7.19 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| P2Y12 | P2Y12 | Human | P2Y | A | pIC50 | 4.55 | 4.55 | 4.55 | ChEMBL |