MESPIPERONE


SMILES CN1CN(c2ccccc2)C2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1=O
InChIKey QHJLPOSPWKZACG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 409.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations 5-HT2A D2 D4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Rat Dopamine A pKi 9.93 9.93 9.93 ChEMBL
D2 DRD2 Rat Dopamine A pKd 10.01 10.01 10.01 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.58 9.58 9.58 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.06 8.06 8.06 ChEMBL
D2 DRD2 Human Dopamine A pKd 10.01 10.01 10.01 ChEMBL
D2 DRD2 Human Dopamine A pKi 9.88 9.88 9.88 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Rat Adrenoceptors A pIC50 8.0 8.0 8.0 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 9.64 9.64 9.64 ChEMBL