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Compound Detail

CHEMBL292810

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Oc1nc2cc(Cl)c(Cl)c(Cn3cccn3)c2nc1O

Basic Information

ChEMBL ID CHEMBL292810
Phase Preclinical
Structure Type MOL
InChI Key JPWQHENAVOURAJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

311.1
MW (Da)
2.59
ALogP
6
HBA
2
HBD
84.1
PSA (Ų)
0.76
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 C12H8Cl2N4O2
MW 311.13
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.73

Activity Summary

IC50 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11384240 10.1021/jm001124p Glutamate NMDA receptor 1
11384240 10.1021/jm001124p No relevant target 1

Data from ChEMBL 36 via Core Engine