Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL357952

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=P(O)(O)C(F)(F)c1ccc(C(F)(F)P(=O)(O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL357952
Phase Preclinical
Structure Type MOL
InChI Key FUSBQJCTZXQSQC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.1
MW (Da)
2.14
ALogP
2
HBA
4
HBD
115.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H8F4O6P2
MW 338.09
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.18

Activity Summary

IC50 1 meas. best 6.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphoglycerate kinase
CHEMBL2096677
 IC50 6.01 6.01 980.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphoglycerate kinase IC50 = 980.0 nM 6.01 Inhibitory activity against 3-phosphoglycerate kinase. 9871609

Literature References

PubMed DOI Target Context # Activities
9871609 10.1016/s0960-894x(98)00059-6 No relevant target 2
9871609 10.1016/s0960-894x(98)00059-6 Phosphoglycerate kinase 1

Data from ChEMBL 36 via Core Engine