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Compound Detail

CHEMBL45237

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COC1=C(O)C(=O)OC1C1COC(C)(C)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL45237
Phase Preclinical
Structure Type MOL
InChI Key IRFTYLPNPVDEBK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

230.2
MW (Da)
0.48
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.70
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 C10H14O6
MW 230.22
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 1.91

Literature References

PubMed DOI Target Context # Activities
9873419 10.1016/s0960-894x(98)00298-4 Unchecked 2
9873419 10.1016/s0960-894x(98)00298-4 Alpha-amylase 1
9873419 10.1016/s0960-894x(98)00298-4 Pancreatic alpha-amylase 1
26395057 10.1016/j.bmc.2015.09.007 Unchecked 1

Data from ChEMBL 36 via Core Engine