CHEMBL3582271


SMILES COc1cc2nc(N3CCN(C(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)CC3)nc(N)c2cc1OC
InChIKey MGYNRIYGDOFIPG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 678.2

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
α1B ADA1B Human Adrenoceptors A pKi 8.14 8.14 8.14 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.68 7.68 7.68 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.33 8.33 8.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pIC50 7.79 7.79 7.79 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 7.47 7.47 7.47 ChEMBL
α1A ADA1A Human Adrenoceptors A pIC50 8.06 8.06 8.06 ChEMBL