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Compound Detail

CHEMBL4760394

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CC(C)C(Nc1ccccc1)c1oc(CO)cc(=O)c1O

Basic Information

ChEMBL ID CHEMBL4760394
Phase Preclinical
Structure Type MOL
InChI Key JLOWGMPRQQBPHK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

289.3
MW (Da)
2.65
ALogP
5
HBA
3
HBD
82.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19NO4
MW 289.33
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.09

Activity Summary

IC50 1 meas. best 4.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transcriptional enhancer factor TEF-3
CHEMBL4295828
IC50 4.42 4.42 38100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32907324 10.1021/acs.jmedchem.0c01275 Transcriptional enhancer factor TEF-3 3

Data from ChEMBL 36 via Core Engine