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Compound Detail

CHEMBL351326

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O=C(O)[C@]1(OCc2ccc(F)cc2)C=C[C@@H](O)[C@H](O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL351326
Phase Preclinical
Structure Type MOL
InChI Key DAGIIEFJESMBIA-BZPMIXESSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
0.85
ALogP
4
HBA
3
HBD
87.0
PSA (Ų)
0.71
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 C14H15FO5
MW 282.27
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.81

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
14667226 10.1021/jm030987q 3-dehydroquinate dehydratase 1

Data from ChEMBL 36 via Core Engine