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Compound Detail

CHEMBL4787565

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O=c1cc(CO)oc(C(Nc2ccccc2)c2ccccc2F)c1O

Basic Information

ChEMBL ID CHEMBL4787565
Phase Preclinical
Structure Type MOL
InChI Key OYIUIISWDRHIGG-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

341.3
MW (Da)
3.18
ALogP
5
HBA
3
HBD
82.7
PSA (Ų)
0.66
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 C19H16FNO4
MW 341.34
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.40

Activity Summary

IC50 2 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transcriptional enhancer factor TEF-3
CHEMBL4295828
IC50 7.0 6.58 100.0 2

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