CHEMBL3582270


SMILES CCN(CC)c1ccc2cc(-n3cc(C(=O)N4CCN(c5nc(N)c6cc(OC)c(OC)cc6n5)CC4)nn3)c(=O)oc2c1
InChIKey PXYNXQORCWJBOI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 599.3

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
α1B ADA1B Human Adrenoceptors A pKi 10.0 10.0 10.0 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 9.4 9.4 9.4 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.52 9.52 9.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pIC50 8.92 8.92 8.92 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 8.66 8.66 8.66 ChEMBL
α1A ADA1A Human Adrenoceptors A pIC50 9.22 9.22 9.22 ChEMBL