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Compound Detail

CHEMBL1202360

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Brc1ccc(Br)c2c1C1CC(c3ccoc3)(c3ccoc3)C2c2cccc[n+]21.[Cl-]

Basic Information

ChEMBL ID CHEMBL1202360
Phase Preclinical
Structure Type MOL
InChI Key RHMGRRNQPDLNPR-UHFFFAOYSA-M
Parent Compound CHEMBL332014
Active Moiety CHEMBL332014
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

498.2
MW (Da)
6.11
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.31
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 C23H16Br2ClNO2
MW 533.65
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness 0.51

Activity Summary

Ki 1 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 6.46 6.46 345.0 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