CBiPES
SMILES | N#Cc1ccc(cc1)c1cccc(c1)N(S(=O)(=O)CC)Cc1cccnc1 |
InChIKey | HDVYXILCBYGKGU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 377.1 |
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 |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.89 | 7.89 | 7.9 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.6 | 6.6 | 6.6 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.5 | 5.5 | 5.5 | Guide to Pharmacology |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.48 | 7.78 | 7.94 | PDSP Ki database |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.9 | 7.39 | 7.89 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |