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Compound Detail

CHEMBL2227929

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COP(=O)(COC(=O)COc1cccc(C(F)(F)F)c1)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2227929
Phase Preclinical
Structure Type MOL
InChI Key FJZDJMYMFUPDJJ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

342.2
MW (Da)
3.07
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.56
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 C12H14F3O6P
MW 342.21
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.09

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21452831 10.1021/jf104247w Digitaria sanguinalis 8
21452831 10.1021/jf104247w Pyruvate dehydrogenase complex 7
21452831 10.1021/jf104247w Setaria viridis 6
21452831 10.1021/jf104247w Chenopodium album 6
21452831 10.1021/jf104247w Amaranthus spinosus 6
21452831 10.1021/jf104247w Abutilon theophrasti 6
21452831 10.1021/jf104247w Echinochloa crus-galli 3
21452831 10.1021/jf104247w Amaranthus retroflexus 3
21452831 10.1021/jf104247w Medicago sativa 2
21452831 10.1021/jf104247w Brassica rapa subsp. oleifera 2
21452831 10.1021/jf104247w Brassica juncea 1
21452831 10.1021/jf104247w Oryza sativa 1

Data from ChEMBL 36 via Core Engine