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Compound Detail

CHEMBL134776

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O=C(Nc1cc(Cl)cc(Cl)c1)c1cnc(Nc2ccccc2)nc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL134776
Phase Preclinical
Structure Type MOL
InChI Key WNQPQTJPJTYUKX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

427.2
MW (Da)
5.80
ALogP
4
HBA
2
HBD
66.9
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H11Cl2F3N4O
MW 427.21
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.77

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