CHEMBL551964


SMILES Cc1ccc2c3c(ccc2n1)OC[C@H](CN1CCN(c2ccc4cc(C#N)ccc4n2)CC1)O3
InChIKey AIBSVCNXTNBLRF-NRFANRHFSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 451.2

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
D4 DRD4 Human Dopamine A pKi 5.85 5.85 5.85 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.43 8.43 8.43 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.88 5.88 5.88 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.88 5.88 5.88 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 6.99 6.99 6.99 ChEMBL