CHEMBL436884


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](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 OETKRDJJNWJFOP-OUBBGVQJSA-N

Chemical properties

Hydrogen bond acceptors 17
Hydrogen bond donors 16
Rotatable bonds 30
Molecular weight (Da) 1408.6

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 5.77 5.77 5.77 ChEMBL
ETA EDNRA Rat Endothelin A pIC50 5.19 5.19 5.19 ChEMBL
ETA EDNRA Human Endothelin A pIC50 5.58 5.58 5.58 ChEMBL