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Compound Detail

CHEMBL138406

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O=C(O)C(=O)Nc1cnccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL138406
Phase Preclinical
Structure Type MOL
InChI Key FNPMPTMRLWPKBF-UHFFFAOYSA-N
0
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

210.2
MW (Da)
-0.20
ALogP
4
HBA
3
HBD
116.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H6N2O5
MW 210.15
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.68

Activity Summary

Ki 5 meas.

Literature References

PubMed DOI Target Context # Activities
12238924 10.1021/jm0209026 Tyrosine-protein phosphatase non-receptor type 1 1
12238924 10.1021/jm0209026 Receptor-type tyrosine-protein phosphatase alpha 1
12238924 10.1021/jm0209026 Receptor-type tyrosine-protein phosphatase F 1
16230012 10.1016/j.bmcl.2005.08.078 Tyrosine-protein phosphatase non-receptor type 1 1
20452766 10.1016/j.bmcl.2010.04.033 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine