Chembl3798748


SMILES COc1cc(CCNC[C@H](O)c2ccc(O)c3c2OCC(=O)N3)ccc1OCCCc1ccccc1
InChIKey VAGMAHDJGBPZIB-QHCPKHFHSA-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
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Mouse Adrenoceptors A pKi 8.29 8.29 8.29 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.35 5.35 5.35 ChEMBL
D4 DRD4 Human Dopamine A pKi 5.85 5.85 5.85 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 9.6 9.6 9.6 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 7.89 8.02 8.15 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.16 6.16 6.16 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.89 7.04 7.19 ChEMBL
D2 DRD2 Human Dopamine A pEC50 4.89 5.95 7.01 ChEMBL