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Compound Detail

CHEMBL5408536

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C=C(Cl)C(=O)NCc1nn(-c2ccc(OC(F)(F)F)cc2)c2nccc(CO)c12

Basic Information

ChEMBL ID CHEMBL5408536
Phase Preclinical
Structure Type MOL
InChI Key OVIHDIFRRBKOFL-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

426.8
MW (Da)
3.18
ALogP
6
HBA
2
HBD
89.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14ClF3N4O3
MW 426.78
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.07

Activity Summary

IC50 4 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transcriptional enhancer factor TEF-3
CHEMBL4295828
IC50 8.7 8.7 2.0 1
Transcriptional enhancer factor TEF-1
CHEMBL3334416
IC50 8.52 8.52 3.0 1
Transcriptional enhancer factor TEF-4
CHEMBL4523301
IC50 8.52 8.52 3.0 1
Transcriptional enhancer factor TEF-5
CHEMBL4523435
IC50 8.4 8.4 4.0 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