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Compound Detail

CHEMBL134863

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Nc1ncc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(C(F)(F)F)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL134863
Phase Preclinical
Structure Type MOL
InChI Key XEQFXPQHQCSILM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

351.1
MW (Da)
3.64
ALogP
4
HBA
2
HBD
80.9
PSA (Ų)
0.87
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 C12H7Cl2F3N4O
MW 351.12
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.80

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