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Compound Detail

CHEMBL134522

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COc1ncc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(C(F)(F)F)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL134522
Phase Preclinical
Structure Type MOL
InChI Key JNGKQOOMIKGFKT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

366.1
MW (Da)
4.06
ALogP
4
HBA
1
HBD
64.1
PSA (Ų)
0.89
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 C13H8Cl2F3N3O2
MW 366.13
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.79

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