CHEMBL139926


SMILES O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1
InChIKey YJYMXCFUNVLJOC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 445.1

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
D3 DRD3 Rat Dopamine A pKi 9.21 9.21 9.21 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.54 5.61 5.68 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.24 6.36 7.03 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.9 6.9 6.9 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.32 6.94 7.55 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.14 8.14 8.14 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.37 8.92 9.1 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.24 6.82 7.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pIC50 8.04 8.04 8.04 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.93 6.93 6.93 ChEMBL