CHEMBL412460


SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC
InChIKey VEIVGAZRXCMCGI-QLTPMWFJSA-N

Chemical properties

Hydrogen bond acceptors 23
Hydrogen bond donors 22
Rotatable bonds 33
Molecular weight (Da) 1669.7

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETB EDNRB Rat Endothelin A pIC50 7.22 7.22 7.22 ChEMBL
ETA EDNRA Rat Endothelin A pIC50 5.92 5.92 5.92 ChEMBL
ETA EDNRA Human Endothelin A pIC50 5.6 5.6 5.6 ChEMBL