CHEMBL231156
SMILES | O=C(NC[C@H]1C[C@@H]1CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1 |
InChIKey | KRMPDMJUDCQCAJ-FGZHOGPDSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 494.2 |
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 | 7.1 | 7.1 | 7.1 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.23 | 7.23 | 7.23 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.33 | 7.33 | 7.33 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.27 | 7.27 | 7.27 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 7.84 | 7.84 | 7.84 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 6.82 | 6.82 | 6.82 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 6.17 | 6.17 | 6.17 | ChEMBL |