CHEMBL3582272


SMILES CCN(CC)c1ccc2cc(-n3cc(CN4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1
InChIKey KDSUSJUAJOGNPC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 585.3

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
α1B ADA1B Human Adrenoceptors A pKi 7.52 7.52 7.52 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.52 7.52 7.52 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.56 7.56 7.56 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pIC50 7.28 7.28 7.28 ChEMBL
α1A ADA1A Human Adrenoceptors A pIC50 7.28 7.28 7.28 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 7.34 7.34 7.34 ChEMBL