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Compound Detail

CHEMBL144824

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CC(O)(CBr)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)OCC(C)(O)CBr
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL144824
Phase Preclinical
Structure Type MOL
InChI Key PWSIBWQOKUMZJZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

574.0
MW (Da)
2.04
ALogP
9
HBA
5
HBD
189.3
PSA (Ų)
0.16
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H21Br2O12P3
MW 573.98
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 0.72

Activity Summary

EC50 1 meas. best 4.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 4.85 4.85 14100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 14100.0 nM 4.85 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