PG01037


SMILES O=C(c1ccc(cc1)c1ccccn1)NC/C=C/CN1CCN(CC1)c1cccc(c1Cl)Cl
InChIKey ZMYOIZHRXABMFZ-ONEGZZNKSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 480.1

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
D4 DRD4 Human Dopamine A pKi 6.26 6.4 6.43 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.33 7.33 7.33 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.07 7.07 7.07 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.21 7.21 7.21 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.68 9.13 9.5 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.97 7.04 7.13 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.2 9.2 9.2 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pIC50 8.52 8.52 8.52 ChEMBL
D2 DRD2 Human Dopamine A pIC50 7.09 7.09 7.09 ChEMBL