Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL357375

CHLOROHYDRIN PYROPHOSPHATE
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(O)(CCl)CCOP(=O)(O)OP(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL357375
Name CHLOROHYDRIN PYROPHOSPHATE
Phase Preclinical
Structure Type MOL
InChI Key QBANKAKMTONFFM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.6
MW (Da)
0.59
ALogP
5
HBA
4
HBD
133.5
PSA (Ų)
0.40
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 C5H13ClO8P2
MW 298.55
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 1.14

Activity Summary

EC50 1 meas. best 7.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 7.15 7.15 70.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 70.7 nM 7.15 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