maraviroc
| SMILES | O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C |
| InChIKey | GSNHKUDZZFZSJB-HLMSNRGBSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 513.3 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CCR5 | CCR5 | Human | Chemokine | A | pKd | 7.6 | 7.6 | 7.6 | ChEMBL |
| CCR5 | CCR5 | Human | Chemokine | A | pKd | 8.12 | 8.12 | 8.12 | Drug Central |
| CCR5 | CCR5 | Human | Chemokine | A | pKd | 9.1 | 9.1 | 9.1 | Guide to Pharmacology |
| CCR5 | CCR5 | Rhesus macaque | Chemokine | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
| CCR5 | CCR5 | Rhesus macaque | Chemokine | A | pKi | 9.62 | 9.62 | 9.62 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CCR5 | CCR5 | Mouse | Chemokine | A | pIC50 | 8.28 | 8.28 | 8.28 | ChEMBL |
| CCR5 | CCR5 | Human | Chemokine | A | pIC50 | 7.59 | 8.83 | 9.7 | ChEMBL |
| CCR5 | CCR5 | Human | Chemokine | A | pEC50 | 7.75 | 7.75 | 7.75 | ChEMBL |
| CCR5 | CCR5 | Human | Chemokine | A | pIC50 | 8.1 | 8.1 | 8.1 | Guide to Pharmacology |
| CCR5 | CCR5 | Mouse | Chemokine | A | pIC50 | 8.08 | 8.08 | 8.08 | Drug Central |