CHEMBL4100183


SMILES O=C1COc2c(N3CCN(CCCCOc4ccn5nccc5c4)CC3)ccc(O)c2N1
InChIKey NQUFJLNBHRSFTR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 437.2

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
D5 DRD5 Human Dopamine A pKi 4.8 4.8 4.8 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.64 5.64 5.64 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.32 8.32 8.32 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.89 5.89 5.89 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.15 9.15 9.15 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.7 8.88 9.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 7.21 7.21 7.21 ChEMBL