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

CHEMBL2227962

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(OC(=O)COc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2227962
Phase Preclinical
Structure Type MOL
InChI Key GBSRALRNVGTJCR-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

464.2
MW (Da)
5.01
ALogP
8
HBA
0
HBD
114.2
PSA (Ų)
0.22
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16Cl2NO8P
MW 464.19
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.20

Activity Summary

IC50 2 meas. best 8.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cucumis sativus
CHEMBL613956
 IC50 8.47 6.885 3.4 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cucumis sativus IC50 = 3.4 nM 8.47 Herbicidal activity against Cucumis sativus Jin 4 (cucumber) assessed as inhibit... 21452831
Cucumis sativus IC50 = 5020.0 nM 5.3 Herbicidal activity against Cucumis sativus Jin 4 (cucumber) assessed as inhibit... 21452831

Literature References

PubMed DOI Target Context # Activities
21452831 10.1021/jf104247w Cucumis sativus 2
21452831 10.1021/jf104247w Medicago sativa 2
21452831 10.1021/jf104247w Amaranthus retroflexus 2
21452831 10.1021/jf104247w Brassica rapa subsp. oleifera 2
21452831 10.1021/jf104247w Digitaria sanguinalis 2
21452831 10.1021/jf104247w Echinochloa crus-galli 2

Data from ChEMBL 36 via Core Engine