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Compound Detail

CHEMBL105341

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CO[C@@H]1C(=O)CO[C@]2(COC(C)(C)O2)[C@@]1(O)C1(C)CO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL105341
Phase Preclinical
Structure Type MOL
InChI Key KWMBYTWSRAWXGU-AYDREVNLSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
-0.40
ALogP
7
HBA
1
HBD
86.8
PSA (Ų)
0.69
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 C13H20O7
MW 288.30
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 1.95

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00564-1 Gallus gallus 1
- 10.1016/S0960-894X(96)00564-1 A-431 1
- 10.1016/S0960-894X(96)00564-1 ADMET 1

Data from ChEMBL 36 via Core Engine