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Compound Detail

CHEMBL2326234

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CCCCC[S+]([O-])CC(P(=O)(O)O)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2326234
Phase Preclinical
Structure Type MOL
InChI Key QLKKAHMPXXNXEX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

308.2
MW (Da)
0.61
ALogP
3
HBA
4
HBD
138.1
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H18O7P2S
MW 308.23
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.32

Literature References

PubMed DOI Target Context # Activities
23318904 10.1016/j.ejmech.2012.12.015 Farnesyl diphosphate synthase 2
23318904 10.1016/j.ejmech.2012.12.015 Toxoplasma gondii 1
23318904 10.1016/j.ejmech.2012.12.015 Vero 1
23318904 10.1016/j.ejmech.2012.12.015 Trypanosoma cruzi 1

Data from ChEMBL 36 via Core Engine