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Compound Detail

CHEMBL4453865

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COc1ccc(/C=C/C(C)=N/Nc2nc(-c3cc(F)ccc3O)cs2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4453865
Phase Preclinical
Structure Type MOL
InChI Key JJBSYRKZLPCARG-NIXQPKGPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
5.17
ALogP
7
HBA
2
HBD
76.0
PSA (Ų)
0.41
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 C21H20FN3O3S
MW 413.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.00

Literature References

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

Data from ChEMBL 36 via Core Engine