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Compound Detail

CHEMBL3410747

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COc1ccc(C(=O)COC(=O)c2cc(C)ccc2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3410747
Phase Preclinical
Structure Type MOL
InChI Key BLBCTMGFGIFKTC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
2.75
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16O5
MW 300.31
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.57

Activity Summary

IC50 1 meas. best 4.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Krueppel-like factor 10
CHEMBL3407312
 IC50 4.4 4.4 40000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Krueppel-like factor 10 IC50 = 40000.0 nM 4.4 Inhibition of human KLF10 expressed in human HeLa cells assessed as reduction in... 25581017

Literature References

PubMed DOI Target Context # Activities
25581017 10.1021/jm5018187 Krueppel-like factor 10 4
25581017 10.1021/jm5018187 Krueppel-like factor 1 2
25581017 10.1021/jm5018187 T-cell 2

Data from ChEMBL 36 via Core Engine