CHEMBL1774532
SMILES | COc1ccc2oc(C(=O)NCCC(F)CN3CCN(c4ccccc4OC)CC3)cc2c1 |
InChIKey | CSQTYZHHBNDDMS-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 455.2 |
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-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.14 | 7.14 | 7.14 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.52 | 5.52 | 5.52 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.56 | 6.56 | 6.56 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.86 | 7.86 | 7.86 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 6.22 | 6.22 | 6.22 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 5.91 | 6.01 | 6.11 | ChEMBL |