Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4208184

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)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
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4208184
Phase Preclinical
Structure Type MOL
InChI Key WCEAINQCXPGEMW-PGLBAVTESA-N
2
Targets
11
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1093.3
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C55H68N10O10S2
MW 1093.34

Activity Summary

EC50 10 meas. best 8.14
IC50 1 meas. best 8.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urotensin-2 receptor
CHEMBL3764
 IC50 8.27 8.27 5.4 1
Urotensin-2 receptor
CHEMBL4921
 EC50 8.14 7.3871 7.2 7
Urotensin-2 receptor
CHEMBL3764
 EC50 7.82 6.9867 15.1 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Urotensin-2 receptor IC50 = 5.37 nM 8.27 Displacement of [Na125I]-synthetic URP from human UT receptor expressed in HEK29... 30183282
Urotensin-2 receptor EC50 = 7.244 nM 8.14 Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring as... 30183282
Urotensin-2 receptor EC50 = 15.14 nM 7.82 Agonist activity at human UT receptor expressed in HEK293 cells co-expressing Gq... 30183282
Urotensin-2 receptor EC50 = 16.6 nM 7.78 Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring as... 30183282
Urotensin-2 receptor EC50 = 28.84 nM 7.54 Agonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring asses... 30183282
Urotensin-2 receptor EC50 = 35.48 nM 7.45 Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring as... 30183282
Urotensin-2 receptor EC50 = 112.2 nM 6.95 Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring as... 30183282
Urotensin-2 receptor EC50 = 117.49 nM 6.93 Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring as... 30183282
Urotensin-2 receptor EC50 = 120.23 nM 6.92 Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring as... 30183282
Urotensin-2 receptor EC50 = 120.23 nM 6.92 Agonist activity at human UT receptor expressed in HEK293 cells co-expressing G1... 30183282
Urotensin-2 receptor EC50 = 602.56 nM 6.22 Agonist activity at human UT receptor expressed in HEK293 cells co-expressing be... 30183282

Literature References

PubMed DOI Target Context # Activities
30183282 10.1021/acs.jmedchem.8b00789 Urotensin-2 receptor 34

Data from ChEMBL 36 via Core Engine