compound 39 [PMID: 34982553]


SMILES N[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C/C=C\C1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)O)Cc1c2ccccc2ccc1
InChIKey VXVNSDXGZQXERO-NXDMJTDOSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 14
Rotatable bonds 21
Molecular weight (Da) 1019.6

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
apelin APJ Human Apelin A pKi 9.22 9.22 9.22 Guide to Pharmacology
apelin APJ Human Apelin A pKi 9.22 9.22 9.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
apelin APJ Human Apelin A pEC50 7.51 8.3 9.1 ChEMBL