CHEMBL98836


SMILES CCCN1CCO[C@@H]2c3cc(O)ccc3SC[C@@H]21
InChIKey OMQYELRKBALQJF-GXTWGEPZSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 265.1

Drug properties

Molecular type Small molecule
Physiological/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 6.71 6.71 6.71 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.45 8.45 8.45 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.13 7.13 7.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Rat Dopamine A pEC50 7.44 7.44 7.44 ChEMBL
D2 DRD2 Rat Dopamine A pEC50 6.91 6.91 6.91 ChEMBL