CHEMBL420997
SMILES | Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCC#N)CC2)cn3-c2ccc(F)cc2)n1 |
InChIKey | FVDPLVKCBNWFME-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 5 |
Molecular weight (Da) | 428.2 |
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 |
α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 8.49 | 8.49 | 8.49 | ChEMBL |
α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 8.05 | 8.05 | 8.05 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.47 | 6.47 | 6.47 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.04 | 6.04 | 6.04 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.92 | 5.92 | 5.92 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |