CHEMBL4063145


SMILES O=C1COc2c(N3CCN(CCCCOc4ccn5ncc(/C=N/O)c5c4)CC3)ccc(O)c2N1
InChIKey AQCPIJGBSDFUKW-CVKSISIWSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 480.2

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
D1 DRD1 Human Dopamine A pKi 5.32 5.37 5.42 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.41 8.53 8.64 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.62 5.84 6.06 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.41 9.44 9.46 ChEMBL
D2 DRD2 Human Dopamine A pKi 9.01 9.06 9.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 6.58 6.83 6.96 ChEMBL