CHEMBL213492
SMILES | CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3c(F)cccc3C(F)(F)F)c3ccccc32)CC1 |
InChIKey | FFNDTETUPMNYNN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 531.1 |
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 |
D5 | DRD5 | Human | Dopamine | A | pKi | 8.15 | 8.15 | 8.15 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 5.7 | 5.7 | 5.7 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.7 | 5.7 | 5.7 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 8.6 | 8.6 | 8.6 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.42 | 6.42 | 6.42 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.92 | 8.92 | 8.92 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |