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Compound Detail

CHEMBL4453402

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Cc1noc(C)c1-c1cc(Cl)c(Nc2ccccc2C(=O)OCc2ccccc2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4453402
Phase Preclinical
Structure Type MOL
InChI Key XMWOTXDSFSRVMJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

467.4
MW (Da)
7.37
ALogP
5
HBA
1
HBD
64.4
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H20Cl2N2O3
MW 467.35
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.05

Activity Summary

IC50 1 meas. best 4.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha-ketoglutarate-dependent dioxygenase FTO
CHEMBL2331065
 IC50 4.52 4.52 30000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alpha-ketoglutarate-dependent dioxygenase FTO IC50 = 30000.0 nM 4.52 Inhibition of FTO (unknown origin) assessed as reduction in demethylation using ... -

Data from ChEMBL 36 via Core Engine