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Compound Detail

CHEMBL2289468

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

Basic Information

ChEMBL ID CHEMBL2289468
Phase Preclinical
Structure Type MOL
InChI Key IWDMNJORIIZYBM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

206.1
MW (Da)
1.76
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.76
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 C7H11O5P
MW 206.13
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.54

Literature References

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

Data from ChEMBL 36 via Core Engine