CHEMBL182379
SMILES | COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3o2)CC1 |
InChIKey | BAGJQDYWVPCFCU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 533.1 |
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 |
D1 | DRD1 | Pig | Dopamine | A | pKi | 6.38 | 6.38 | 6.38 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.47 | 6.9 | 7.34 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.05 | 6.05 | 6.05 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.85 | 9.0 | 9.14 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.48 | 7.48 | 7.48 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.23 | 7.4 | 7.57 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 7.64 | 7.64 | 7.64 | ChEMBL |