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Compound Detail

CHEMBL3358702

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Basic Information

ChEMBL ID CHEMBL3358702
Phase Preclinical
Structure Type MOL
InChI Key YSIKHBWUBSFBRZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

104.1
MW (Da)
0.11
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C4H8O3
MW 104.10
Aromatic Rings 0
Heavy Atoms 7
NP-Likeness 0.07

Literature References

PubMed DOI Target Context # Activities
25462220 10.1016/j.ejmech.2014.10.026 Mycobacterium tuberculosis 2
33848153 10.1021/acs.jmedchem.1c00124 Unchecked 2

Data from ChEMBL 36 via Core Engine