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Compound Detail

CHEMBL4593096

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COc1ccc(/C=C/C(C)=N/Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4593096
Phase Preclinical
Structure Type MOL
InChI Key YVJGHSXCUSFBAS-BAQHSMLZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.9
MW (Da)
5.98
ALogP
6
HBA
1
HBD
55.7
PSA (Ų)
0.38
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 C21H20ClN3O2S
MW 413.93
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.21

Literature References

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

Data from ChEMBL 36 via Core Engine