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

CHEMBL269455

IMIRESTAT
🧪 Phase II
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
🧪 Phase II
O=C1NC(=O)C2(N1)c1cc(F)ccc1-c1ccc(F)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL269455
Name IMIRESTAT
Phase Phase II
Structure Type MOL
InChI Key QCCHBHSAIQIQGO-UHFFFAOYSA-N

Known Names

AL-1576 HOE 843 HOE-843 Imirestat
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
4
Known Names

Molecular Properties

286.2
MW (Da)
2.03
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -stat

Extended Properties

Molecular Formula C15H8F2N2O2
MW 286.24
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.49

Activity Summary

IC50 7 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aldo-keto reductase family 1 member B1
CHEMBL2622
 IC50 8.3 8.175 5.0 2
Aldo-keto reductase family 1 member B1
CHEMBL1900
 IC50 7.57 7.39 27.0 3
Aldo-keto reductase family 1 member A1
CHEMBL2246
 IC50 7.35 7.295 45.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aldo-keto reductase family 1 member B1 IC50 = 5.0 nM 8.3 In vitro inhibitory activity against L-Hexonate Dehydrogenase (L-HDH) from rat k... 1956041
Aldo-keto reductase family 1 member B1 IC50 = 9.0 nM 8.05 In vitro inhibition of Aldose reductase (AR) from rat lens (RL) 1956041
Aldo-keto reductase family 1 member B1 IC50 = 27.0 nM 7.57 Inhibition of C-terminal 6His-tagged human recombinant AKR1B1 expressed in Esche... 37027003
Aldo-keto reductase family 1 member A1 IC50 = 45.0 nM 7.35 Inhibition of C-terminal 6His-tagged human recombinant SCoR2 AKR1A1 expressed in... 37027003
Aldo-keto reductase family 1 member B1 IC50 = 46.0 nM 7.34 Inhibition of C-terminal 6His-tagged human recombinant AKR1B1 expressed in Esche... 37027003
Aldo-keto reductase family 1 member B1 IC50 = 54.7 nM 7.26 Inhibitory Activity against Human recombinant Aldose Reductase (wild type) 10737739
Aldo-keto reductase family 1 member A1 IC50 = 57.0 nM 7.24 Inhibition of C-terminal 6His-tagged human recombinant SCoR2 AKR1A1 expressed in... 37027003

Literature References

PubMed DOI Target Context # Activities
10737739 10.1021/jm990168z Unchecked 4
37027003 10.1021/acs.jmedchem.2c02089 Unchecked 4
37027003 10.1021/acs.jmedchem.2c02089 Mus musculus 4
1956041 10.1021/jm00115a011 Aldo-keto reductase family 1 member B1 3
37027003 10.1021/acs.jmedchem.2c02089 Aldo-keto reductase family 1 member B1 2
37027003 10.1021/acs.jmedchem.2c02089 Aldo-keto reductase family 1 member A1 2
10737739 10.1021/jm990168z Aldo-keto reductase family 1 member B1 1

Data from ChEMBL 36 via Core Engine