SB-282241
| SMILES | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 |
| InChIKey | QBRLVMQBZIFWTB-WEVVVXLNSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 499.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
| Ligand site mutations | CCR2 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CCR2 | CCR2 | Human | Chemokine | A | pKi | 7.0 | 7.0 | 7.0 | Guide to Pharmacology |
| 5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 8.5 | 8.5 | 8.5 | ChEMBL |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 8.2 | 8.2 | 8.2 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 7.9 | 7.9 | 7.9 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.2 | 7.2 | 7.2 | ChEMBL |
| CCR2 | CCR2 | Human | Chemokine | A | pKi | 5.6 | 6.83 | 7.78 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.1 | 7.1 | 7.1 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.6 | 7.6 | 7.6 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.1 | 7.1 | 7.1 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.1 | 8.1 | 8.1 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.7 | 7.7 | 7.7 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
| CCR5 | CCR5 | Human | Chemokine | A | pKi | 5.37 | 5.37 | 5.37 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CCR2 | CCR2 | Human | Chemokine | A | pIC50 | 7.0 | 7.0 | 7.0 | ChEMBL |