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Compound Detail

CHEMBL4550026

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COc1ccc(/C=C/C(C)=N/Nc2nc(-c3ccccc3)cs2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4550026
Phase Preclinical
Structure Type MOL
InChI Key XPDABUCBVGCYNQ-VPPZSHGXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
5.33
ALogP
6
HBA
1
HBD
55.7
PSA (Ų)
0.45
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 C21H21N3O2S
MW 379.49
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.07

Literature References

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

Data from ChEMBL 36 via Core Engine