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Compound Detail

CHEMBL3410732

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CC(C)(c1ccc(O)c(CO)c1)c1ccc(O)c(CO)c1

Basic Information

ChEMBL ID CHEMBL3410732
Phase Preclinical
Structure Type MOL
InChI Key BYIRAHKGUFQVRE-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
2.41
ALogP
4
HBA
4
HBD
80.9
PSA (Ų)
0.70
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 C17H20O4
MW 288.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.29

Activity Summary

IC50 2 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Krueppel-like factor 10
CHEMBL3407312
IC50 4.0 4.0 100000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine