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Compound Detail

CHEMBL4797833

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NC(=O)c1ccc(C(Nc2ccccc2)c2oc(CO)cc(=O)c2O)cc1

Basic Information

ChEMBL ID CHEMBL4797833
Phase Preclinical
Structure Type MOL
InChI Key WBOBJGJFMMOVGY-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
2.14
ALogP
6
HBA
4
HBD
125.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N2O5
MW 366.37
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.27

Activity Summary

IC50 2 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transcriptional enhancer factor TEF-3
CHEMBL4295828
IC50 6.52 6.17 300.0 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