CHEMBL4068561


SMILES O=c1ccc2c(N3CCN(CCCCOc4ccn5ncc(/C=N/O)c5c4)CC3)ccc(O)c2[nH]1
InChIKey KHNMKPXPIOAOHB-WPWMEQJKSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 476.2

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 7.51 7.73 7.96 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.54 8.55 8.57 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.27 5.27 5.27 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.47 8.86 9.27 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 7.16 7.25 7.34 ChEMBL