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Compound Detail

CHEMBL218463

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Cc1ccc(COC(=O)N2CCC(CN(C)c3ncccn3)CC2)cc1

Basic Information

ChEMBL ID CHEMBL218463
Phase Preclinical
Structure Type MOL
InChI Key IQPLYVYZAILDSZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
3.27
ALogP
5
HBA
0
HBD
58.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N4O2
MW 354.45
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.38

Activity Summary

Ki 1 meas. best 5.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2B
CHEMBL1904
Ki 5.68 5.68 2100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17249648 10.1021/jm060983w Glutamate receptor ionotropic, NMDA 2B 1
17249648 10.1021/jm060983w Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine