CHEMBL4553059
| SMILES | CCc1cccc(N2CCN(CC(F)CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl |
| InChIKey | RPKWQRUGASWUBS-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 457.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.33 | 6.33 | 6.33 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.93 | 6.93 | 6.93 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.47 | 6.47 | 6.47 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.61 | 8.61 | 8.61 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.48 | 6.48 | 6.48 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 6.46 | 6.46 | 6.46 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 6.35 | 6.35 | 6.35 | ChEMBL |