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Compound Detail

CHEMBL506976

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Basic Information

ChEMBL ID CHEMBL506976
Phase Preclinical
Structure Type MOL
InChI Key QSKPIOLLBIHNAC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

78.5
MW (Da)
0.42
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.33
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C2H3ClO
MW 78.50
Aromatic Rings 0
Heavy Atoms 4
NP-Likeness 0.66

Literature References

PubMed DOI Target Context # Activities
18406150 10.1016/j.bmc.2008.03.070 Salmonella typhimurium 1
209189 10.1021/jm00205a023 Bacillus subtilis 1
28197313 10.1021/acsmedchemlett.6b00417 Myeloperoxidase 1

Data from ChEMBL 36 via Core Engine