IQM-97423


SMILES O=C(NC(C)(C)C)N[C@H](C(=O)N[C@@H]1CCCN2[C@H]1CC(=O)N(C2=O)Cc1ccccc1)Cc1c[nH]c2c1cccc2
InChIKey JQMXXJDAKTTXOB-ZNZIZOMTSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 558.3

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
β1 ADRB1 Human Adrenoceptors A pKi 8.8 9.23 9.3 Guide to Pharmacology
β2 ADRB2 Human Adrenoceptors A pKi 9.4 9.4 9.4 Guide to Pharmacology
β2 ADRB2 Human Adrenoceptors A pKd 9.84 9.84 9.84 Guide to Pharmacology
β3 ADRB3 Human Adrenoceptors A pKi 6.1 6.7 7.3 Guide to Pharmacology
β3 ADRB3 Mouse Adrenoceptors A pKi 6.8 6.8 6.8 Guide to Pharmacology
β3 ADRB3 Rat Adrenoceptors A pKi 6.8 6.8 6.8 Guide to Pharmacology
β2 ADRB2 Human Adrenoceptors A pKd 7.72 8.71 9.7 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 8.35 8.35 8.35 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 8.37 8.37 8.37 PDSP Ki database
β3 ADRB3 Human Adrenoceptors A pKi 7.11 7.11 7.11 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pEC50 7.91 7.91 7.91 ChEMBL
β3 ADRB3 Human Adrenoceptors A pEC50 5.7 5.7 5.7 ChEMBL