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Compound Detail

CHEMBL3884735

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COC(C)(CC=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3884735
Phase Preclinical
Structure Type MOL
InChI Key SXDCKSSXFPOLRX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

132.2
MW (Da)
0.58
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H12O3
MW 132.16
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 0.72

Literature References

PubMed DOI Target Context # Activities
28197313 10.1021/acsmedchemlett.6b00417 Myeloperoxidase 1

Data from ChEMBL 36 via Core Engine