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Compound Detail

CHEMBL1306635

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N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc2c(c1)OCCO2

Basic Information

ChEMBL ID CHEMBL1306635
Phase Preclinical
Structure Type MOL
InChI Key FARGSCHMSPHKFC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

372.8
MW (Da)
2.78
ALogP
6
HBA
1
HBD
97.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13ClN2O5
MW 372.76
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.79

Activity Summary

IC50 1 meas. best 5.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2
CHEMBL2096976
IC50 5.56 5.56 2777.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine