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Compound Detail

CHEMBL164342

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Cc1noc(CCc2c(-c3ccccc3)c(O)nc3cc(Cl)ccc23)n1

Basic Information

ChEMBL ID CHEMBL164342
Phase Preclinical
Structure Type MOL
InChI Key FSQPWURIVLVIDR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

365.8
MW (Da)
4.74
ALogP
5
HBA
1
HBD
72.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16ClN3O2
MW 365.82
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 5.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
IC50 5.46 5.46 3500.0 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 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine