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Compound Detail

CHEMBL3359142

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C#CCOC(=O)c1ccc(O)c(NC(=O)COc2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3359142
Phase Preclinical
Structure Type MOL
InChI Key FQUJUCMFSVMNTO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

325.3
MW (Da)
2.20
ALogP
5
HBA
2
HBD
84.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15NO5
MW 325.32
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
25356789 10.1021/jm501241g Malate dehydrogenase, mitochondrial 2
25356789 10.1021/jm501241g Hypoxia-inducible factor 1-alpha 1

Data from ChEMBL 36 via Core Engine