CHEMBL4065973


SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)O
InChIKey KLQZDNWCYDAAMM-MOBVNWGTSA-N

Chemical properties

Hydrogen bond acceptors 27
Hydrogen bond donors 32
Rotatable bonds 70
Molecular weight (Da) 2199.2

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
apelin APJ Rat Apelin A pKi 9.35 9.35 9.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
apelin APJ Rat Apelin A pIC50 9.22 9.22 9.22 ChEMBL
apelin APJ Human Apelin A pEC50 8.31 8.31 8.31 ChEMBL