CHEMBL4076140


SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@@H]1C/C=C\C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIKey PMEGRJGJNGWVMH-SMTGLJCTSA-N

Chemical properties

Hydrogen bond acceptors 19
Hydrogen bond donors 20
Rotatable bonds 35
Molecular weight (Da) 1456.8

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 8.24 8.24 8.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
apelin APJ Human Apelin A pEC50 6.07 6.86 7.64 ChEMBL