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Compound Detail

CHEMBL4172276

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Cc1nn(-c2cccc([N+](=O)[O-])c2)c(=O)c2nocc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4172276
Phase Preclinical
Structure Type MOL
InChI Key KEDIVFDACPQWHH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

272.2
MW (Da)
1.59
ALogP
7
HBA
0
HBD
104.1
PSA (Ų)
0.52
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 C12H8N4O4
MW 272.22
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -2.00

Literature References

PubMed DOI Target Context # Activities
30143366 10.1016/j.bmc.2018.08.012 Metabotropic glutamate receptor 2 2
30143366 10.1016/j.bmc.2018.08.012 Metabotropic glutamate receptor 4 2
30143366 10.1016/j.bmc.2018.08.012 Unchecked 1
30143366 10.1016/j.bmc.2018.08.012 Glutamate [NMDA] receptor 1
30143366 10.1016/j.bmc.2018.08.012 Metabotropic glutamate receptor 5 1

Data from ChEMBL 36 via Core Engine