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Compound Detail

CHEMBL5432828

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

Basic Information

ChEMBL ID CHEMBL5432828
Phase Preclinical
Structure Type MOL
InChI Key FATYKAPPXHGOKR-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

418.4
MW (Da)
2.92
ALogP
6
HBA
1
HBD
80.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17F3N4O3
MW 418.38
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.82

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-4
CHEMBL4523301
IC50 8.4 8.4 4.0 1
Transcriptional enhancer factor TEF-5
CHEMBL4523435
IC50 8.05 8.05 9.0 1
Transcriptional enhancer factor TEF-1
CHEMBL3334416
IC50 8.0 8.0 10.0 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