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Compound Detail

CHEMBL1202351

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COc1ccc[n+]2c1C1c3ccccc3C2CC1(c1ccoc1)c1ccoc1.[Cl-]

Basic Information

ChEMBL ID CHEMBL1202351
Phase Preclinical
Structure Type MOL
InChI Key CGZDPKYSCIKOJD-UHFFFAOYSA-M
Parent Compound CHEMBL334070
Active Moiety CHEMBL334070
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
4.59
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.50
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 0.63

Activity Summary

Ki 1 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 7.72 7.72 19.0 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