Chembl4060461


SMILES COc1ccccc1N1CCN(CCCCOc2ccn3ncc(/C=N/O)c3c2)CC1
InChIKey BZCYPHOOPXOADD-XIEYBQDHSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 423.2

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 6.07 6.11 6.15 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.82 8.98 9.14 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.0 7.02 7.04 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.35 8.41 8.48 ChEMBL
D3 DRD3 Human Dopamine A pEC50 7.39 7.57 7.75 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.92 9.47 10.03 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.56 8.14 9.13 ChEMBL