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Compound Detail

CHEMBL1165734

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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](C)NC(=O)[C@@H](N)[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 CHEMBL1165734
Phase Preclinical
Structure Type BOTH
InChI Key OSAAGHNIQWODAC-MIBPFTBTSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1233.4
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C57H76N12O15S2
MW 1233.44

Activity Summary

EC50 1 meas. best 9.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urotensin-2 receptor
CHEMBL4921
EC50 9.96 9.96 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Urotensin-2 receptor EC50 = 0.11 nM 9.96 Agonist activity at rat urotensin 2 receptor expressed in CHO cells assessed as ... 20043680

Literature References

PubMed DOI Target Context # Activities
20043680 10.1021/jm901294u Urotensin-2 receptor 1

Data from ChEMBL 36 via Core Engine