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Compound Detail

CHEMBL471279

METHYL CHLOROASTERRATE
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COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)c(Cl)c(O)c1C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL471279
Name METHYL CHLOROASTERRATE
Phase Preclinical
Structure Type MOL
InChI Key XSBBWBWHNNKSSM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

396.8
MW (Da)
3.43
ALogP
8
HBA
2
HBD
111.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H17ClO8
MW 396.78
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.81

Literature References

PubMed DOI Target Context # Activities
11809055 10.1021/np0102758 Escherichia coli 1
11809055 10.1021/np0102758 Gaeumannomyces tritici 1
11809055 10.1021/np0102758 Rhizoctonia solani 1
11809055 10.1021/np0102758 Caenorhabditis elegans 1
26706176 10.1016/j.bmcl.2015.12.009 Unchecked 1

Data from ChEMBL 36 via Core Engine