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Compound Detail

CHEMBL176350

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O=C([O-])c1cc(N=Nc2ccc([N+](=O)[O-])cc2)ccc1O.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL176350
Phase Preclinical
Structure Type MOL
InChI Key HXKKTXMJSVFQSL-UHFFFAOYSA-M
Parent Compound CHEMBL1206021
Active Moiety CHEMBL1206021
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

287.2
MW (Da)
3.41
ALogP
6
HBA
2
HBD
125.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8N3NaO5
MW 309.21
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.68

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
15050628 10.1016/j.bmcl.2004.01.079 Unchecked 1
15050628 10.1016/j.bmcl.2004.01.079 Tyrosine-protein phosphatase non-receptor type 1 1
15050628 10.1016/j.bmcl.2004.01.079 Tyrosine-protein phosphatase 1 1

Data from ChEMBL 36 via Core Engine