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Compound Detail

CHEMBL265549

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CN(C(=N)Nc1cccc([N+](=O)[O-])c1)c1cccc2ccccc12

Basic Information

ChEMBL ID CHEMBL265549
Phase Preclinical
Structure Type MOL
InChI Key RFZLVCWWOQTVNH-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
4.23
ALogP
3
HBA
2
HBD
82.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4O2
MW 320.35
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.38

Activity Summary

IC50 2 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sigma non-opioid intracellular receptor 1
CHEMBL287
IC50 5.58 5.58 2640.0 1
Glutamate NMDA receptor
CHEMBL1907608
IC50 5.55 5.55 2800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8295213 10.1021/jm00028a009 Glutamate NMDA receptor 1
8295213 10.1021/jm00028a009 Sigma non-opioid intracellular receptor 1 1

Data from ChEMBL 36 via Core Engine