CHEMBL241641
SMILES | O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(C#Cc2ccccc2)cc1 |
InChIKey | IZRFSGDNQRHHKW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 505.2 |
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 |
D1 | DRD1 | Pig | Dopamine | A | pKi | 5.33 | 5.33 | 5.33 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.48 | 6.48 | 6.48 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.49 | 8.49 | 8.49 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.08 | 6.1 | 6.11 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |