compound 14a [PMID: 34795866]


SMILES C(CCC)c1n(c(c(c(=O)n1)C(=O)N1C[C@@H](CC1)c1ncc(cc1)Cl)O)c1c(cccc1OC)OC
InChIKey KSQCOKRJNWPXJJ-MRXNPFEDSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 512.2

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
apelin APJ Human Apelin A pEC50 9.57 9.57 9.57 Guide to Pharmacology
apelin APJ Rat Apelin A pEC50 10.46 10.46 10.46 Guide to Pharmacology
apelin APJ Human Apelin A pEC50 10.57 10.57 10.57 ChEMBL