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Compound Detail

CHEMBL4279505

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

Basic Information

ChEMBL ID CHEMBL4279505
Phase Preclinical
Structure Type MOL
InChI Key AKXQBDGTSLJNBK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

298.7
MW (Da)
3.71
ALogP
3
HBA
2
HBD
66.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H9ClF2N4O
MW 298.68
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.76

Activity Summary

IC50 1 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Probable global transcription activator SNF2L2
CHEMBL2362979
IC50 6.96 6.96 110.0 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