CHEMBL3139064
SMILES | COc1ccc2[nH]c(C(=O)NC/C=C/CN3CCN(c4ccccc4OC)CC3)cc2c1 |
InChIKey | XAESEDLRZCTOOM-AATRIKPKSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 434.2 |
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 | 6.79 | 6.79 | 6.79 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.36 | 8.36 | 8.36 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.92 | 6.92 | 6.92 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |