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Compound Detail

CHEMBL165360

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Oc1nc2cc(Cl)ccc2c(NCc2ccccc2)c1-c1ccccc1

Basic Information

ChEMBL ID CHEMBL165360
Phase Preclinical
Structure Type MOL
InChI Key XXJCDWOBPANERJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

360.8
MW (Da)
5.87
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.48
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17ClN2O
MW 360.84
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.87

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9057862 10.1021/jm9605492 Glutamate receptor ionotropic, NMDA 1 1
9057862 10.1021/jm9605492 Glutamate NMDA receptor 1
9057862 10.1021/jm9605492 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine