CHEMBL4454498


SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C)C(=O)O
InChIKey AXQAJAKTGAQSNG-MXGZSICKSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 12
Rotatable bonds 18
Molecular weight (Da) 1074.4

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
UT UR2R Human Urotensin A pKi 8.45 8.45 8.45 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
UT UR2R Rat Urotensin A pEC50 8.28 8.28 8.28 ChEMBL
UT UR2R Human Urotensin A pEC50 8.33 8.33 8.33 ChEMBL