CHEMBL4475783


SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[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 ACPSPBMVAMLTFE-JWNUYQQJSA-N

Chemical properties

Hydrogen bond acceptors 19
Hydrogen bond donors 16
Rotatable bonds 27
Molecular weight (Da) 1401.6

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 7.69 7.69 7.69 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
UT UR2R Rat Urotensin A pEC50 8.24 8.24 8.24 ChEMBL
UT UR2R Human Urotensin A pEC50 8.25 8.25 8.25 ChEMBL