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Compound Detail

CHEMBL4764516

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O=c1cc(CO)oc(C(Nc2ccccc2)C2CCCCC2)c1O

Basic Information

ChEMBL ID CHEMBL4764516
Phase Preclinical
Structure Type MOL
InChI Key OOAKFVGDNJSDDP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.57
ALogP
5
HBA
3
HBD
82.7
PSA (Ų)
0.78
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 C19H23NO4
MW 329.40
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.14

Activity Summary

IC50 1 meas. best 4.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transcriptional enhancer factor TEF-3
CHEMBL4295828
IC50 4.65 4.65 22600.0 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