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Compound Detail

CHEMBL109162

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CC(=O)Nc1ccc(C(=O)O)cc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL109162
Phase Preclinical
Structure Type MOL
InChI Key MJMLUICFHWSBQZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

194.2
MW (Da)
0.93
ALogP
3
HBA
3
HBD
92.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H10N2O3
MW 194.19
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.79

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
7650674 10.1021/jm00017a005 Influenza A virus 2
7650674 10.1021/jm00017a005 Influenza B virus 1
9406595 10.1021/jm970479e Sialidase-3 1
11300878 10.1021/jm001070j Unchecked 1
14521411 10.1021/jm0302593 Unchecked 1
30928196 10.1016/j.bmcl.2019.03.028 Lysine-specific demethylase 5A 1

Data from ChEMBL 36 via Core Engine