L-765314


SMILES COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1
InChIKey CGWOIDCAGBKOQL-FQEVSTJZSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 522.3

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 7.7 7.7 7.7 Guide to Pharmacology
α1B ADA1B Rat Adrenoceptors A pKi 8.3 8.3 8.3 Guide to Pharmacology
α1B ADA1B Rat Adrenoceptors A pKi 8.27 8.27 8.27 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 8.7 8.7 8.7 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 6.3 6.3 6.3 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.47 7.47 7.47 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.38 6.38 6.38 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 7.3 7.3 7.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Rat Adrenoceptors A pIC50 8.03 8.03 8.03 ChEMBL
α1B ADA1B Human Adrenoceptors A pIC50 5.24 6.65 8.06 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 6.47 6.47 6.47 ChEMBL
α1A ADA1A Human Adrenoceptors A pIC50 6.23 6.23 6.23 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 6.1 6.1 6.1 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.7 4.7 4.7 ChEMBL