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Compound Detail

CHEMBL5074923

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CC(C)=C/C=C/P(=O)(OCOC(=O)C(C)(C)C)Oc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5074923
Phase Preclinical
Structure Type MOL
InChI Key XWFDLDQMXMYQAV-UKTHLTGXSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
5.30
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25O5P
MW 352.37
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.61

Activity Summary

EC50 3 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.12 5.2333 750.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 750.0 nM 6.12 Induction of cell proliferation in human Vgamma9Vdelta2-T cells stimulated with ... 35178171
Unchecked EC50 = 9100.0 nM 5.04 Induction of IFN-gamma production in human Vgamma9Vdelta2-T cells incubated for ... 35178171
Unchecked EC50 = 29000.0 nM 4.54 Induction of IFN-gamma production in human Vgamma9Vdelta2-T cells incubated for ... 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