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Compound Detail

CHEMBL347210

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

Basic Information

ChEMBL ID CHEMBL347210
Phase Preclinical
Structure Type MOL
InChI Key NYRGKZZCDVIYRL-NFAWXSAZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
0.20
ALogP
5
HBA
4
HBD
107.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18O6
MW 294.30
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.19

Literature References

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

Data from ChEMBL 36 via Core Engine