CHEMBL3797205


SMILES COc1cc(CCNC[C@@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1
InChIKey VAGMAHDJGBPZIB-HSZRJFAPSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 12
Molecular weight (Da) 492.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Mouse Adrenoceptors A pKi 6.75 6.75 6.75 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.27 5.27 5.27 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.55 5.55 5.55 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.89 7.89 7.89 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.4 6.4 6.4 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.51 6.76 7.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pEC50 6.0 6.12 6.24 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.06 6.6 8.14 ChEMBL