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Compound Detail

CHEMBL272213

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C/C(=C/CCOP(=O)(O)OP(=O)(O)O)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL272213
Phase Preclinical
Structure Type MOL
InChI Key NKEZFJKNNXIXRQ-UTCJRWHESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.1
MW (Da)
0.54
ALogP
5
HBA
4
HBD
133.5
PSA (Ų)
0.30
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 C6H14O8P2
MW 276.12
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 2.29

Activity Summary

EC50 1 meas. best 6.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.07 6.07 852.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 852.0 nM 6.07 Agonist activity at human Vgamma9Vdelta2 receptor expressed in T cells assessed ... 18303828

Literature References

PubMed DOI Target Context # Activities
18303828 10.1021/jm701101g Unchecked 1

Data from ChEMBL 36 via Core Engine