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Compound Detail

CHEMBL118921

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CCOC(=O)c1c(C)n[nH]c1Nc1ccc(C(F)(F)F)cc1

Basic Information

ChEMBL ID CHEMBL118921
Phase Preclinical
Structure Type MOL
InChI Key IPZYLHAYKHYFGF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
3.66
ALogP
4
HBA
2
HBD
67.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14F3N3O2
MW 313.28
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.49

Activity Summary

IC50 1 meas. best 4.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mus musculus
CHEMBL375
IC50 4.62 4.62 23800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mus musculus IC50 = 23800.0 nM 4.62 In vitro inhibitory activity against murine antibody response to T-cell independ... 9719606

Literature References

PubMed DOI Target Context # Activities
9719606 10.1021/jm981028c Mus musculus 1
9719606 10.1021/jm981028c Dihydroorotate dehydrogenase (quinone), mitochondrial 1

Data from ChEMBL 36 via Core Engine