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Compound Detail

CHEMBL148974

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O=P(O)(O)C(F)(F)c1cccc(C(F)(F)P(=O)(O)O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL148974
Phase Preclinical
Structure Type MOL
InChI Key NHLUGCYTZHHQHS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

339.1
MW (Da)
1.54
ALogP
3
HBA
4
HBD
128.0
PSA (Ų)
0.48
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 C7H7F4NO6P2
MW 339.07
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.33

Activity Summary

IC50 1 meas. best 5.93

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphoglycerate kinase
CHEMBL2096677
 IC50 5.93 5.93 1170.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphoglycerate kinase IC50 = 1170.0 nM 5.93 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