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Compound Detail

CHEMBL1202364

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Oc1cccc2c1C1c3cccc[n+]3C2CC1(c1ccccc1)c1ccccc1.[Cl-]

Basic Information

ChEMBL ID CHEMBL1202364
Phase Preclinical
Structure Type MOL
InChI Key FEZDAALRMVQYAN-UHFFFAOYSA-N
Parent Compound CHEMBL330784
Active Moiety CHEMBL330784
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
5.10
ALogP
1
HBA
1
HBD
24.1
PSA (Ų)
0.48
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H22ClNO
MW 411.93
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness 0.38

Activity Summary

Ki 1 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 7.92 7.92 12.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7658445 10.1021/jm00018a018 Glutamate NMDA receptor 1
7658445 10.1021/jm00018a018 No relevant target 1

Data from ChEMBL 36 via Core Engine