CHEMBL4213101


SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O
InChIKey LWPABDJNWSXGPM-HZWOCANUSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 12
Rotatable bonds 16
Molecular weight (Da) 1116.5

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
UT UR2R Rat Urotensin A pEC50 7.49 7.49 7.49 ChEMBL
UT UR2R Human Urotensin A pEC50 6.12 6.84 7.56 ChEMBL
UT UR2R Human Urotensin A pIC50 7.57 7.57 7.57 ChEMBL