BMS-817399
| SMILES | O=C(CC(O)(C)C)N[C@@H](C(=O)N1CC[C@](C(C1)(C)C)(O)c1ccc(cc1)Cl)C(C)C |
| InChIKey | PTNKPLPRPJERNR-XXBNENTESA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 438.2 |
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 |
| CCR1 | CCR1 | Human | Chemokine | A | pKi | 8.43 | 8.43 | 8.43 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CCR1 | Q2V0Q7 | Dog | Chemokine | A | pIC50 | 6.2 | 6.2 | 6.2 | ChEMBL |
| CCR1 | CCR1 | Human | Chemokine | A | pIC50 | 7.38 | 8.23 | 9.0 | ChEMBL |
| CCR1 | CCR1 | Human | Chemokine | A | pIC50 | 9.0 | 9.0 | 9.0 | Guide to Pharmacology |