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Compound Detail

CHEMBL5084726

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CC(=O)OC/C(C)=C/C=C/P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5084726
Phase Preclinical
Structure Type MOL
InChI Key OEGVPOVLYHOCAF-VMPIADEKSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

448.4
MW (Da)
4.33
ALogP
9
HBA
0
HBD
114.4
PSA (Ų)
0.16
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H33O9P
MW 448.45
Aromatic Rings 0
Heavy Atoms 30
NP-Likeness 0.70

Activity Summary

EC50 2 meas. best 4.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 4.42 4.32 38000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 38000.0 nM 4.42 Induction of IFN-gamma production in human Vgamma9Vdelta2-T cells incubated for ... 35178171
Unchecked EC50 = 60000.0 nM 4.22 Induction of cell proliferation in human Vgamma9Vdelta2-T cells stimulated with ... 35178171

Literature References

PubMed DOI Target Context # Activities
35178171 10.1021/acsmedchemlett.1c00408 Unchecked 5
35178171 10.1021/acsmedchemlett.1c00408 ADMET 4
35178171 10.1021/acsmedchemlett.1c00408 K562 1

Data from ChEMBL 36 via Core Engine