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Compound Detail

CHEMBL2017789

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CC[C@@](O)(COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2017789
Phase Preclinical
Structure Type MOL
InChI Key XQKKGWTUWPWHKT-OOJXKGFFSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.2
MW (Da)
-2.57
ALogP
8
HBA
8
HBD
214.4
PSA (Ų)
0.19
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H20O12P2
MW 370.18
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 1.39

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
24900268 10.1021/ml200129s Fructose-bisphosphate aldolase, glycosomal 2
24900268 10.1021/ml200129s Fructose-bisphosphate aldolase A 1

Data from ChEMBL 36 via Core Engine