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Compound Detail

CHEMBL5092970

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COP(=O)(/C=C/C=C(C)C)OCOC(=O)C(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5092970
Phase Preclinical
Structure Type MOL
InChI Key JAKGTUORAIHYJQ-VQHVLOKHSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
3.87
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H23O5P
MW 290.30
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 0.93

Activity Summary

EC50 4 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.89 5.0725 130.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 130.0 nM 6.89 Induction of cell proliferation in human Vgamma9Vdelta2-T cells stimulated with ... 35178171
Unchecked EC50 = 11000.0 nM 4.96 Induction of IFN-gamma production in human Vgamma9Vdelta2-T cells incubated for ... 35178171
Unchecked EC50 = 37000.0 nM 4.43 Induction of IFN-gamma production in human Vgamma9Vdelta2-T cells incubated for ... 35178171
Unchecked EC50 = 98000.0 nM 4.01 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 3
35178171 10.1021/acsmedchemlett.1c00408 K562 1

Data from ChEMBL 36 via Core Engine