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Compound Detail

CHEMBL5597946

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C/C(=C\COP(=O)(O)O)CO

Basic Information

ChEMBL ID CHEMBL5597946
Phase Preclinical
Structure Type MOL
InChI Key BGLDNQQSMLYFSG-GORDUTHDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

182.1
MW (Da)
0.03
ALogP
3
HBA
3
HBD
87.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H11O5P
MW 182.11
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 2.23

Activity Summary

EC50 1 meas. best 9.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 9.29 9.29 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 0.51 nM 9.29 Induction of Vgamma9Vdelta2 T cell activation in human PBMC cells incubated for ... 39026632

Literature References

PubMed DOI Target Context # Activities
39026632 10.1039/d4md00208c Unchecked 1

Data from ChEMBL 36 via Core Engine