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Compound Detail

CHEMBL4637295

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Clc1ccc2c(c1)CCC(NCCCc1ccccc1)CC2

Basic Information

ChEMBL ID CHEMBL4637295
Phase Preclinical
Structure Type MOL
InChI Key LMOLVAMZQBFMFZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.9
MW (Da)
4.81
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24ClN
MW 313.87
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.61

Activity Summary

Ki 1 meas. best 8.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2B
CHEMBL1904
Ki 8.68 8.68 2.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
31843460 10.1016/j.bmc.2019.115245 Glutamate receptor ionotropic, NMDA 2B 1

Data from ChEMBL 36 via Core Engine