CHEMBL27254
SMILES | COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)cc2)CC1 |
InChIKey | PZTFOAIQGVVNAX-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 493.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.4 | 8.4 | 8.4 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.41 | 8.41 | 8.41 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.84 | 6.84 | 6.84 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Green monkey | Dopamine | A | pEC50 | 8.92 | 8.92 | 8.92 | ChEMBL |