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Compound Detail

CHEMBL202440

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COc1cc(/C=N/O)ccc1O

Basic Information

ChEMBL ID CHEMBL202440
Phase Preclinical
Structure Type MOL
InChI Key RJJVVYVLHWMYAA-WEVVVXLNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

167.2
MW (Da)
1.21
ALogP
4
HBA
2
HBD
62.0
PSA (Ų)
0.40
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 C8H9NO3
MW 167.16
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.22

Literature References

PubMed DOI Target Context # Activities
16290145 10.1016/j.bmcl.2005.10.040 Succinate-semialdehyde dehydrogenase, mitochondrial 1
16290145 10.1016/j.bmcl.2005.10.040 4-aminobutyrate aminotransferase, mitochondrial 1

Data from ChEMBL 36 via Core Engine