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Compound Detail

CHEMBL232899

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

Basic Information

ChEMBL ID CHEMBL232899
Phase Preclinical
Structure Type MOL
InChI Key MEGWHVRMCKSMLP-CHWSQXEVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
1.77
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H24O4
MW 244.33
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.18

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