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Compound Detail

CHEMBL4781890

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O=c1cc(CO)oc(C(Nc2nc3ccccc3[nH]2)c2ccccc2)c1O

Basic Information

ChEMBL ID CHEMBL4781890
Phase Preclinical
Structure Type MOL
InChI Key KKPSGKXPROYGCQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
2.92
ALogP
6
HBA
4
HBD
111.4
PSA (Ų)
0.43
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 C20H17N3O4
MW 363.37
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.17

Activity Summary

IC50 1 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transcriptional enhancer factor TEF-3
CHEMBL4295828
IC50 5.19 5.19 6400.0 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