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Compound Detail

CHEMBL120412

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CCOCc1cc(=O)c(O)co1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL120412
Phase Preclinical
Structure Type MOL
InChI Key GCMPGTUGHASJNO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

170.2
MW (Da)
0.88
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.73
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 C8H10O4
MW 170.16
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.54

Literature References

PubMed DOI Target Context # Activities
8809155 10.1021/jm960220g ADMET 4
23683589 10.1016/j.bmcl.2013.04.062 D-amino-acid oxidase 1

Data from ChEMBL 36 via Core Engine