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Compound Detail

CHEMBL2289469

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COP(=O)(OC)C(=O)c1ccco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2289469
Phase Preclinical
Structure Type MOL
InChI Key BBHVGPZHALKGLR-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

204.1
MW (Da)
1.91
ALogP
5
HBA
0
HBD
65.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H9O5P
MW 204.12
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.52

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
23398199 10.1021/jf305153h Brassica rapa subsp. oleifera 3

Data from ChEMBL 36 via Core Engine