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Compound Detail

CHEMBL2326221

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CCCCCS(=O)(=O)CC(P(=O)(O)O)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2326221
Phase Preclinical
Structure Type MOL
InChI Key IOMAKMYJEOTXKE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

324.2
MW (Da)
0.27
ALogP
4
HBA
4
HBD
149.2
PSA (Ų)
0.37
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 C7H18O8P2S
MW 324.23
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness -0.21

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
34894691 10.1021/acs.jmedchem.1c01569 Unchecked 1
34894691 10.1021/acs.jmedchem.1c01569 Toxoplasma gondii 1

Data from ChEMBL 36 via Core Engine