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Compound Detail

CHEMBL3617321

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COc1cncc(C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3617321
Phase Preclinical
Structure Type MOL
InChI Key VDZUWTLBWRZRTR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

153.1
MW (Da)
0.79
ALogP
3
HBA
1
HBD
59.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H7NO3
MW 153.14
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
26322531 10.1021/acs.jmedchem.5b00871 D-amino-acid oxidase 1
26322531 10.1021/acs.jmedchem.5b00871 D-aspartate oxidase 1

Data from ChEMBL 36 via Core Engine