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

CHEMBL2227911

CLACYFOS
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
COP(=O)(OC)C(C)OC(=O)COc1ccc(Cl)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2227911
Name CLACYFOS
Phase Preclinical
Structure Type MOL
InChI Key UUHXXNQVWVFJLW-UHFFFAOYSA-N
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

357.1
MW (Da)
3.75
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.55
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 C12H15Cl2O6P
MW 357.13
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.98

Activity Summary

IC50 8 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cucumis sativus
CHEMBL613956
 IC50 8.6 6.86 2.5 2
Brassica rapa subsp. oleifera
CHEMBL2366828
 IC50 7.46 7.46 34.4 1
Pyruvate dehydrogenase complex
CHEMBL2366570
 IC50 4.89 4.89 12750.0 1
Pyruvate dehydrogenase complex
CHEMBL2366571
 IC50 4.74 4.74 18190.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cucumis sativus IC50 = 2.5 nM 8.6 Herbicidal activity against Cucumis sativus Jin 4 (cucumber) assessed as inhibit... 21452831
Brassica rapa subsp. oleifera IC50 = 34.4 nM 7.46 Herbicidal activity against Brassica rapa subsp. oleifera assessed as inhibition... 23398199
Cucumis sativus IC50 = 7560.0 nM 5.12 Herbicidal activity against Cucumis sativus Jin 4 (cucumber) assessed as inhibit... 21452831
Pyruvate dehydrogenase complex IC50 = 12750.0 nM 4.89 Inhibition of PDHc in Vigna radiata var. radiata VC2778A shoot mitochondria asse... 21452831
Pyruvate dehydrogenase complex IC50 = 18190.0 nM 4.74 Inhibition of PDHc in Pisum sativum Zhongwan-2 (pea) shoot mitochondria assessed... 21452831
Pyruvate dehydrogenase complex IC50 = 18190.0 nM 4.74 Inhibition of Pisum sativum (pea) PDHc by spectrophotometric assay 23398199

Literature References

PubMed DOI Target Context # Activities
21452831 10.1021/jf104247w Pyruvate dehydrogenase complex 18
21452831 10.1021/jf104247w Digitaria sanguinalis 12
21452831 10.1021/jf104247w Amaranthus retroflexus 9
21452831 10.1021/jf104247w Echinochloa crus-galli 9
21452831 10.1021/jf104247w Brassica rapa subsp. oleifera 9
21452831 10.1021/jf104247w Medicago sativa 9
21452831 10.1021/jf104247w Eclipta prostrata 7
21452831 10.1021/jf104247w Cardamine hirsuta 7
21452831 10.1021/jf104247w Portulaca oleracea 7
21452831 10.1021/jf104247w Xanthium strumarium 7
21452831 10.1021/jf104247w Daucus carota 7
21452831 10.1021/jf104247w Abutilon theophrasti 6
21452831 10.1021/jf104247w Unchecked 6
21452831 10.1021/jf104247w Setaria viridis 6
21452831 10.1021/jf104247w Amaranthus spinosus 6
21452831 10.1021/jf104247w Chenopodium album 6
23398199 10.1021/jf305153h Brassica rapa subsp. oleifera 5
21452831 10.1021/jf104247w Zea mays 5
21452831 10.1021/jf104247w Triticum aestivum 4
21452831 10.1021/jf104247w Oryza sativa 4

Data from ChEMBL 36 via Core Engine