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

CHEMBL10615

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
CN1C(=O)c2ccc(F)cc2C2(CC(=O)NC2=O)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL10615
Phase Preclinical
Structure Type MOL
InChI Key NUWAXBLRYLFKMD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

276.2
MW (Da)
-0.28
ALogP
4
HBA
1
HBD
83.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9FN2O4
MW 276.22
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.45

Activity Summary

IC50 1 meas. best 7.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aldo-keto reductase family 1 member B1
CHEMBL1900
 IC50 7.13 7.13 73.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aldo-keto reductase family 1 member B1 IC50 = 73.2 nM 7.13 Inhibitory Activity against Human recombinant Aldose Reductase (wild type) 10737739

Literature References

PubMed DOI Target Context # Activities
10737739 10.1021/jm990168z Unchecked 4
8027986 10.1021/jm00039a017 Aldo-keto reductase family 1 member B1 2
10737739 10.1021/jm990168z Aldo-keto reductase family 1 member B1 1

Data from ChEMBL 36 via Core Engine