CHEMBL386986
SMILES | CCCc1c(C(=O)NCCCCN2CCN(c3ccccc3OC)CC2)nnn1Cc1ccccc1Br |
InChIKey | OCLIVVKGXAOVNC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 12 |
Molecular weight (Da) | 568.2 |
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 |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.46 | 8.46 | 8.46 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.36 | 7.36 | 7.36 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 7.66 | 8.09 | 8.52 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.12 | 7.12 | 7.12 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |