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Compound Detail

CHEMBL5428867

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O=C(/C=C/CO)N1CC(c2nn(-c3ccc(OC(F)(F)F)cc3)c3nccc(Cl)c23)C1

Basic Information

ChEMBL ID CHEMBL5428867
Phase Preclinical
Structure Type MOL
InChI Key OTGMINCKHGEJQA-OWOJBTEDSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

452.8
MW (Da)
3.45
ALogP
6
HBA
1
HBD
80.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16ClF3N4O3
MW 452.82
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.92

Activity Summary

IC50 4 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transcriptional enhancer factor TEF-3
CHEMBL4295828
IC50 8.52 8.52 3.0 1
Transcriptional enhancer factor TEF-1
CHEMBL3334416
IC50 8.1 8.1 8.0 1
Transcriptional enhancer factor TEF-5
CHEMBL4523435
IC50 7.89 7.89 13.0 1
Transcriptional enhancer factor TEF-4
CHEMBL4523301
IC50 7.77 7.77 17.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37849539 10.1021/acsmedchemlett.3c00392 Transcriptional enhancer factor TEF-1 1
37849539 10.1021/acsmedchemlett.3c00392 Transcriptional enhancer factor TEF-4 1
37849539 10.1021/acsmedchemlett.3c00392 Transcriptional enhancer factor TEF-5 1
37849539 10.1021/acsmedchemlett.3c00392 Transcriptional enhancer factor TEF-3 1

Data from ChEMBL 36 via Core Engine