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Compound Detail

CHEMBL200194

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Nc1cccc(C(=O)/C=C/c2ccc(O)c(O)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL200194
Phase Preclinical
Structure Type MOL
InChI Key PAIZGTSSBUNBOJ-GQCTYLIASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
2.58
ALogP
4
HBA
3
HBD
83.5
PSA (Ų)
0.34
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 C15H13NO3
MW 255.27
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.32

Literature References

PubMed DOI Target Context # Activities
22743086 10.1016/j.bmc.2012.05.062 MDCK 3
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

Data from ChEMBL 36 via Core Engine