CHEMBL4098236


SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(C=O)c3c2)CC1
InChIKey NXGXODYDGLKSAM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 408.2

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 6.37 6.37 6.37 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.15 8.15 8.15 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.46 6.46 6.46 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.92 7.92 7.92 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.64 8.69 8.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 8.11 8.11 8.11 ChEMBL
D2 DRD2 Human Dopamine A pEC50 7.76 7.78 7.8 ChEMBL