CHEMBL1457510


SMILES COc1c(O)ccc2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCO4
InChIKey TUTLRKKYUXPDGN-HNNXBMFYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 1
Molecular weight (Da) 325.1

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 7.82 7.82 7.82 ChEMBL
D1 DRD1 Human Dopamine A pKi 8.19 8.2 8.2 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.7 5.7 5.7 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.04 6.04 6.04 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.08 7.08 7.08 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.84 7.07 7.31 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Human Dopamine A pIC50 4.76 4.76 4.76 ChEMBL
D1 DRD1 Human Dopamine A pEC50 4.8 4.8 4.8 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 4.87 4.87 4.87 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.0 6.0 6.0 ChEMBL