Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL166143

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(O)c1ccccc1-c1ccc(CNc2nc(C(F)(F)F)nc3c2CCCC3)cc1

Basic Information

ChEMBL ID CHEMBL166143
Phase Preclinical
Structure Type MOL
InChI Key IKHFLZRTPHICQG-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

427.4
MW (Da)
5.35
ALogP
4
HBA
2
HBD
75.1
PSA (Ų)
0.57
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20F3N3O2
MW 427.43
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.07

Activity Summary

IC50 2 meas. best 6.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiotensin II receptor
CHEMBL2094112
IC50 6.56 6.56 275.0 1
Type-2 angiotensin II receptor
CHEMBL4607
IC50 6.56 6.56 275.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81269-5 Angiotensin II receptor 1
- 10.1016/S0960-894X(01)81269-5 Rattus norvegicus 1
21413808 10.1021/jm1013693 Type-2 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine