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Compound Detail

CHEMBL1202367

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OCc1cccc2c1C1c3cccc[n+]3C2CC1(c1ccoc1)c1ccoc1.[Cl-]

Basic Information

ChEMBL ID CHEMBL1202367
Phase Preclinical
Structure Type MOL
InChI Key BFXDIUORKJGTOQ-UHFFFAOYSA-M
Parent Compound CHEMBL120622
Active Moiety CHEMBL120622
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
4.08
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.55
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 C24H20ClNO3
MW 405.88
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness 0.72

Activity Summary

Ki 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 6.8 6.8 159.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7658445 10.1021/jm00018a018 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine