Chembl4090208


SMILES CCCN(CCCCOc1ccn2ncc(C=O)c2c1)[C@H]1CCc2c(O)cccc2C1
InChIKey IYWXUSILGIBAQW-NRFANRHFSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 421.2

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 5.89 5.89 5.89 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.66 8.66 8.66 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.66 5.66 5.66 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.96 8.96 8.96 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.64 8.85 9.05 ChEMBL
D2 DRD2 Human Dopamine A pEC50 7.9 9.0 9.96 ChEMBL