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Compound Detail

CHEMBL437430

HUMAN UROTENSIN II
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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@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O

Basic Information

ChEMBL ID CHEMBL437430
Name HUMAN UROTENSIN II
Phase Preclinical
Structure Type BOTH
InChI Key HFNHAPQMXICKCF-FDMLFMOBSA-N
3
Targets
11
Activities
3
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

1388.6
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C64H85N13O18S2
MW 1388.59

Activity Summary

EC50 5 meas. best 9.08
Ki 4 meas. best 9.1
IC50 2 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urotensin-2 receptor
CHEMBL3764
Ki 9.1 9.1 0.8 4
Urotensin-2 receptor
CHEMBL4921
EC50 9.08 8.7933 0.8 3
Urotensin-2 receptor
CHEMBL3764
EC50 8.96 8.96 1.1 1
Rattus norvegicus
CHEMBL376
EC50 8.3 8.3 5.0 1
Urotensin-2 receptor
CHEMBL3764
IC50 7.89 7.885 13.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24251366 10.1021/jm401153j Urotensin-2 receptor 5
12238917 10.1021/jm025549i Urotensin-2 receptor 2
16279788 10.1021/jm058043j Rattus norvegicus 2
19432421 10.1021/jm900148c Urotensin-2 receptor 2
15027856 10.1021/jm0309912 Urotensin-2 receptor 1
15027856 10.1021/jm0309912 Unchecked 1
16279788 10.1021/jm058043j Urotensin-2 receptor 1
19695883 10.1016/j.bmc.2009.07.058 Urotensin-2 receptor 1

Data from ChEMBL 36 via Core Engine