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Compound Detail

CHEMBL200185

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Nc1cccc(C(=O)/C=C/c2ccc(O)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL200185
Phase Preclinical
Structure Type MOL
InChI Key BSKPFGWIWCBTQC-RMKNXTFCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

239.3
MW (Da)
2.87
ALogP
3
HBA
2
HBD
63.3
PSA (Ų)
0.49
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 C15H13NO2
MW 239.27
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.09

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16202584 10.1016/j.bmcl.2005.08.087 Unchecked 1
16202584 10.1016/j.bmcl.2005.08.087 Alpha-amylase 1
16202584 10.1016/j.bmcl.2005.08.087 Beta-amylase 1
35278752 10.1016/j.ejmech.2022.114244 Toxoplasma gondii 1

Data from ChEMBL 36 via Core Engine