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Compound Detail

CHEMBL2369937

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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(C)=O

Basic Information

ChEMBL ID CHEMBL2369937
Phase Preclinical
Structure Type BOTH
InChI Key PPDJSGSLQZISIW-UFCAUSMHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1211.4
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C59H86N16O12
MW 1211.44

Activity Summary

IC50 1 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094256
IC50 9.7 9.7 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Angiotensin II receptor IC50 = 0.2 nM 9.7 Binding affinity towards Angiotensin receptor from rabbit aorta 1895308

Literature References

PubMed DOI Target Context # Activities
1895308 10.1021/jm00113a035 Angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine