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Compound Detail

CHEMBL133044

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O=C(Nc1cc(Cl)cc(Cl)c1)c1cncnc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL133044
Phase Preclinical
Structure Type MOL
InChI Key HXJGBHNFBUWWFW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.1
MW (Da)
4.05
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.90
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 C12H6Cl2F3N3O
MW 336.10
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.81

Literature References

PubMed DOI Target Context # Activities
9484492 10.1021/jm970671g Nuclear factor NF-kappa-B p105 subunit 1
9484492 10.1021/jm970671g Cyclic AMP-dependent transcription factor ATF-1 1

Data from ChEMBL 36 via Core Engine