CHEMBL4085920
SMILES | CC(C)(C)c1nc(N2CCN(CCCCNC(=O)c3cc4ccccn4n3)CC2)cc(C(F)(F)F)n1 |
InChIKey | UXRJVZYJCCSIAH-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 503.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D4 | DRD4 | Human | Dopamine | A | pKi | 5.33 | 5.33 | 5.33 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.92 | 8.92 | 8.92 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.37 | 6.54 | 6.7 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.57 | 5.57 | 5.57 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.12 | 5.12 | 5.12 | ChEMBL |
D5 | DRD5 | Human | Dopamine | A | pKi | 5.24 | 5.24 | 5.24 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |