CHEMBL3139554


SMILES Oc1ccc2c(c1)O[C@@H](CNCc1cccc(I)c1)CC2
InChIKey XLHGDHLCZBHDRQ-MRXNPFEDSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 395.0

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 5.33 5.33 5.34 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.37 5.39 5.41 ChEMBL
D4 DRD4 Human Dopamine A pKi 9.01 9.02 9.02 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.1 8.32 8.54 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.14 7.89 8.99 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 10.5 10.5 10.5 ChEMBL