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Compound Detail

CHEMBL152738

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O=C(O)c1ccc(CO[C@@]2(C(=O)O)C=C[C@@H](O)[C@H](O)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL152738
Phase Preclinical
Structure Type MOL
InChI Key GFNIEDZYXVWBOK-JMSVASOKSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
0.41
ALogP
5
HBA
4
HBD
124.3
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 C15H16O7
MW 308.29
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 1.10

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