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Compound Detail

CHEMBL232691

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OC(C[C@@H]1COCCO1)C[C@@H]1COCCO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL232691
Phase Preclinical
Structure Type MOL
InChI Key PBSGLUVHMQVQOI-GHMZBOCLSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
-0.04
ALogP
5
HBA
1
HBD
57.1
PSA (Ų)
0.74
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 C11H20O5
MW 232.28
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.27

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17287124 10.1016/j.bmc.2007.01.040 Sindbis virus 1
17287124 10.1016/j.bmc.2007.01.040 ADMET 1

Data from ChEMBL 36 via Core Engine