CHEMBL1179503
SMILES | c1cnc(N2CCN(CCCCCNC3=Nc4ccccc4OC3)CC2)nc1 |
InChIKey | JTFGONAIGJAYQD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 380.2 |
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 |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.72 | 7.72 | 7.72 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.74 | 5.74 | 5.74 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.59 | 5.59 | 5.59 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D4 | DRD4 | Human | Dopamine | A | pIC50 | 7.02 | 7.02 | 7.02 | ChEMBL |