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Compound Detail

CHEMBL62157

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CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(CCCCC)CCCCC)[C@H](C(=O)O)C1

Basic Information

ChEMBL ID CHEMBL62157
Phase Preclinical
Structure Type MOL
InChI Key ARVXIHZWEMWLIT-DEOSSOPVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

496.7
MW (Da)
5.66
ALogP
3
HBA
1
HBD
84.4
PSA (Ų)
0.26
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H52N4O4
MW 496.74
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness -0.39

Activity Summary

IC50 1 meas. best 7.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-2 angiotensin II receptor
CHEMBL257
IC50 7.09 7.09 82.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81007-6 Type-1 angiotensin II receptor 1
- 10.1016/S0960-894X(01)81007-6 Type-2 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine