CHEMBL342062


SMILES COc1cc2nc(N3CCN(C(=O)c4ccco4)[C@@H]4CCCC[C@@H]43)nc(N)c2cc1OC
InChIKey XBRXTUGRUXGBPX-SJORKVTESA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 437.2

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
α1A ADA1A Bovine Adrenoceptors A pKi 7.48 7.48 7.48 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 7.57 7.57 7.57 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKd 10.12 10.12 10.12 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 9.16 9.73 10.15 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 7.73 7.73 7.73 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 9.23 9.23 9.23 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.91 8.57 9.23 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.49 9.36 10.22 ChEMBL
D2 DRD2 Rat Dopamine A pKi 5.08 5.08 5.08 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 4.89 4.89 4.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database