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

CHEMBL4290175

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
O=C(Nc1ccnc(Cl)c1)Nc1ccnc(C(F)(F)F)c1

Basic Information

ChEMBL ID CHEMBL4290175
Phase Preclinical
Structure Type MOL
InChI Key HQYQXQQPQJWOAU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

316.7
MW (Da)
3.79
ALogP
3
HBA
2
HBD
66.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H8ClF3N4O
MW 316.67
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.59

Activity Summary

IC50 2 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transcription activator BRG1
CHEMBL3085620
IC50 7.52 7.52 30.0 1
Probable global transcription activator SNF2L2
CHEMBL2362979
IC50 7.22 7.22 60.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30339381 10.1021/acs.jmedchem.8b01318 Transcription activator BRG1 1
30339381 10.1021/acs.jmedchem.8b01318 Probable global transcription activator SNF2L2 1

Data from ChEMBL 36 via Core Engine