Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL326960

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1n[nH]c(Nc2ccc(C(F)(F)F)cc2)c1-c1ccccc1

Basic Information

ChEMBL ID CHEMBL326960
Phase Preclinical
Structure Type MOL
InChI Key QEEIPIODSXKDCN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

317.3
MW (Da)
5.15
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.70
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14F3N3
MW 317.31
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.32

Activity Summary

IC50 1 meas. best 4.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mus musculus
CHEMBL375
IC50 4.53 4.53 29400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mus musculus IC50 = 29400.0 nM 4.53 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