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Compound Detail

CHEMBL144717

IODOHYDRIN TRIPHOSPHATE
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CC(O)(CI)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL144717
Name IODOHYDRIN TRIPHOSPHATE
Phase Preclinical
Structure Type MOL
InChI Key NDGRGMOFACFMKC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.0
MW (Da)
0.91
ALogP
7
HBA
5
HBD
180.1
PSA (Ų)
0.18
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H14IO11P3
MW 469.98
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 1.23

Activity Summary

EC50 1 meas. best 6.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.65 6.65 224.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 224.0 nM 6.65 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