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Compound Detail

CHEMBL375241

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CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[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](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O

Basic Information

ChEMBL ID CHEMBL375241
Phase Preclinical
Structure Type BOTH
InChI Key VXLUBANOZQJZFE-MSYIYWSESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

1075.3
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C51H66N10O12S2
MW 1075.28

Activity Summary

Ki 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urotensin-2 receptor
CHEMBL3764
Ki 5.7 5.7 1995.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Urotensin-2 receptor Ki = 1995.26 nM 5.7 Displacement of [125I]urotensin 2 from human UT receptor expressed in CHO-K1 cel... 16279788

Literature References

PubMed DOI Target Context # Activities
16279788 10.1021/jm058043j Urotensin-2 receptor 1
16279788 10.1021/jm058043j Rattus norvegicus 1
39096311 10.1021/acs.jmedchem.4c00688 Urotensin-2 receptor 1
39096311 10.1021/acs.jmedchem.4c00688 Aortic ring 1

Data from ChEMBL 36 via Core Engine