CHEMBL3758920
SMILES | O=C(NCCCCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1 |
InChIKey | XFHLYLFABDLYDJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 421.2 |
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 |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.78 | 6.78 | 6.78 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.98 | 7.98 | 7.98 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 4.92 | 4.92 | 4.92 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |