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Compound Detail

CHEMBL4580991

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COc1ccc(/C=C/C(C)=N/Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4580991
Phase Preclinical
Structure Type MOL
InChI Key XVUFGPDMXLTAQO-XJLXESQPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
5.24
ALogP
8
HBA
1
HBD
98.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N4O4S
MW 424.48
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.29

Literature References

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

Data from ChEMBL 36 via Core Engine