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Compound Detail

CHEMBL335080

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CCCCNc1ncc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(C(F)(F)F)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL335080
Phase Preclinical
Structure Type MOL
InChI Key PLMORJHEWFLVRZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

407.2
MW (Da)
5.27
ALogP
4
HBA
2
HBD
66.9
PSA (Ų)
0.64
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15Cl2F3N4O
MW 407.22
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.85

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