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Compound Detail

CHEMBL1950316

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O=C(O)CCc1c(C(=O)O)[nH]c2ccc([N+](=O)[O-])cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1950316
Phase Preclinical
Structure Type MOL
InChI Key PQHHEHIJRCJZRX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

278.2
MW (Da)
1.79
ALogP
4
HBA
3
HBD
133.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10N2O6
MW 278.22
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.67

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
22281190 10.1016/j.bmcl.2011.12.138 Kynurenine--oxoglutarate transaminase 1 1
25461330 10.1016/j.ejmech.2014.11.049 Fructose-1,6-bisphosphatase 1 1

Data from ChEMBL 36 via Core Engine