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Compound Detail

CHEMBL4474060

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COc1ccc(/C=C/C(C)=N/Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4474060
Phase Preclinical
Structure Type MOL
InChI Key MPVFUMPHCZNBDI-HASGWJGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
6.35
ALogP
6
HBA
1
HBD
55.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20F3N3O2S
MW 447.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
27437078 10.1021/acsmedchemlett.6b00088 Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine