CHEMBL3234446


SMILES CSCC[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](CC(C)C)NC(=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)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIKey SVWSKJCJNAIKNH-MJZUAXFLSA-N

Chemical properties

Hydrogen bond acceptors 28
Hydrogen bond donors 32
Rotatable bonds 69
Molecular weight (Da) 2137.2

Drug properties

Molecular type Protein
Physiological/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 10.28 10.28 10.28 ChEMBL
apelin APJ Human Apelin A pKi 10.4 10.4 10.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
apelin APJ Rat Apelin A pIC50 8.85 9.72 10.6 ChEMBL
apelin APJ Human Apelin A pEC50 8.72 8.72 8.72 ChEMBL