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Compound Detail

CHEMBL129194

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CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2cccc(C(F)(F)F)c2n1

Basic Information

ChEMBL ID CHEMBL129194
Phase Preclinical
Structure Type MOL
InChI Key AHXIYECOLPSDEQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

475.5
MW (Da)
6.24
ALogP
5
HBA
1
HBD
76.6
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20F3N5O
MW 475.47
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.96

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL1671613
IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1433210 10.1021/jm00100a007 Type-1 angiotensin II receptor 1
1433210 10.1021/jm00100a007 Angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine