ONO-AE3-240


SMILES CC(CC(c1cccc2c1cccc2)C(=O)Nc1cc(ccc1Cc1ccccc1C(=O)O)Cn1cccn1)C
InChIKey WXTQSWUTEXDKIF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 531.3

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
β2 ADRB2 Human Adrenoceptors A pKi 9.2 9.35 9.5 Guide to Pharmacology
β3 ADRB3 Human Adrenoceptors A pKi 5.8 6.2 6.6 Guide to Pharmacology
β1 ADRB1 Human Adrenoceptors A pKd 6.74 6.74 6.74 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 6.2 8.44 9.61 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pIC50 9.13 9.13 9.13 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.4 4.4 4.4 ChEMBL