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

CHEMBL5596599

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
Cc1n[nH]c(C)c1-c1cc(Cl)c(Nc2ccccc2C(=O)NO)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5596599
Phase Preclinical
Structure Type MOL
InChI Key UMQKDDMRCQAIGA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.3
MW (Da)
4.86
ALogP
4
HBA
4
HBD
90.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16Cl2N4O2
MW 391.26
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha-ketoglutarate-dependent dioxygenase FTO
CHEMBL2331065
 IC50 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alpha-ketoglutarate-dependent dioxygenase FTO IC50 = 400.0 nM 6.4 Inhibition of FTO (unknown origin) 38805939

Literature References

PubMed DOI Target Context # Activities
38805939 10.1016/j.ejmech.2024.116526 Alpha-ketoglutarate-dependent dioxygenase FTO 1

Data from ChEMBL 36 via Core Engine