CHEMBL3335537
SMILES | c1ccc(CC[C@@H]2CN(Cc3nc4ccccc4[nH]3)CCO2)cc1 |
InChIKey | JVQBISWUXRKBAJ-QGZVFWFLSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 321.2 |
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 | 7.16 | 7.16 | 7.16 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 4.8 | 4.8 | 4.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D4 | DRD4 | Human | Dopamine | A | pIC50 | 6.75 | 6.75 | 6.75 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 4.33 | 4.33 | 4.33 | ChEMBL |