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Compound Detail

CHEMBL144382

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CC(COP(=O)(O)OP(=O)(O)O)C(C)(O)CI
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL144382
Phase Preclinical
Structure Type MOL
InChI Key WFLYXBPKBJWWQJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.0
MW (Da)
1.03
ALogP
5
HBA
4
HBD
133.5
PSA (Ų)
0.28
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H15IO8P2
MW 404.03
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 1.32

Activity Summary

EC50 1 meas. best 5.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 5.15 5.15 7070.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 7070.0 nM 5.15 Effective concentration to activate gammadelta T cells 12383012

Literature References

PubMed DOI Target Context # Activities
12383012 10.1021/jm020224n Unchecked 1

Data from ChEMBL 36 via Core Engine