CHEMBL4595970
SMILES | CCCN(CCCCNC(=O)c1ccc2ccccc2c1)CC1CC1c1ccc(C(F)(F)F)cc1 |
InChIKey | YKCROHAUAFLVCV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 11 |
Molecular weight (Da) | 482.3 |
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 |
D5 | DRD5 | Human | Dopamine | A | pKi | 5.24 | 5.24 | 5.24 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.67 | 6.67 | 6.67 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.77 | 5.77 | 5.77 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.37 | 7.37 | 7.37 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |