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Compound Detail

CHEMBL1760113

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Cc1ccc(NC(=O)/C=C/[C@H]2C[C@@H](O)[C@@H](O)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1760113
Phase Preclinical
Structure Type MOL
InChI Key WKZYGOJTCHOMAS-FXOVMYNFSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

261.3
MW (Da)
1.62
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19NO3
MW 261.32
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.03

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21334120 10.1016/j.ejmech.2011.01.049 Drosophila 1
21334120 10.1016/j.ejmech.2011.01.049 ADMET 1

Data from ChEMBL 36 via Core Engine