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Compound Detail

CHEMBL164930

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N#CCCc1c(-c2ccccc2)c(O)nc2cc(Cl)ccc12

Basic Information

ChEMBL ID CHEMBL164930
Phase Preclinical
Structure Type MOL
InChI Key VJQIDZXONVUSSJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

308.8
MW (Da)
4.72
ALogP
3
HBA
1
HBD
56.9
PSA (Ų)
0.76
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 C18H13ClN2O
MW 308.77
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.75

Activity Summary

IC50 1 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
IC50 6.12 6.12 750.0 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