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Compound Detail

CHEMBL2326220

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

Basic Information

ChEMBL ID CHEMBL2326220
Phase Preclinical
Structure Type MOL
InChI Key PKXZBMJKMYELTI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
2.56
ALogP
3
HBA
4
HBD
138.1
PSA (Ų)
0.22
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H28O7P2S
MW 378.36
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 0.29

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

Data from ChEMBL 36 via Core Engine