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Compound Detail

CHEMBL448625

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COc1coc(CO)cc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL448625
Phase Preclinical
Structure Type MOL
InChI Key RLWWKLWEBQOOAB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

156.1
MW (Da)
0.14
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H8O4
MW 156.14
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness 0.91

Literature References

PubMed DOI Target Context # Activities
1710653 10.1021/np50073a012 Human immunodeficiency virus type 1 reverse transcriptase 1
23683589 10.1016/j.bmcl.2013.04.062 D-amino-acid oxidase 1

Data from ChEMBL 36 via Core Engine