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Compound Detail

CHEMBL4759333

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O=c1cc(CO)oc(C(Nc2ncccn2)c2ccccc2)c1O

Basic Information

ChEMBL ID CHEMBL4759333
Phase Preclinical
Structure Type MOL
InChI Key WVSMVFNIMPKKBZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.3
MW (Da)
1.83
ALogP
7
HBA
3
HBD
108.5
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 C17H15N3O4
MW 325.32
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.18

Activity Summary

IC50 1 meas. best 4.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transcriptional enhancer factor TEF-3
CHEMBL4295828
IC50 4.87 4.87 13400.0 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