Chembl4088639


SMILES COc1ccccc1N1CCN(CCCC(=O)Nc2ccn3ncc(C=O)c3c2)CC1
InChIKey NHDFEXRNVMOWCZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 421.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pKi 5.92 5.92 5.92 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.47 7.47 7.47 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.52 6.52 6.52 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.16 7.16 7.16 ChEMBL
D3 DRD3 Human Dopamine A pEC50 7.1 7.1 7.1 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.82 8.84 8.85 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.82 6.82 6.82 ChEMBL