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Compound Detail

CHEMBL218546

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O=C(OCc1ccccc1)N1CCC(Cc2nc3ccccc3[nH]2)CC1

Basic Information

ChEMBL ID CHEMBL218546
Phase Preclinical
Structure Type MOL
InChI Key LDGHTELTCNTBIY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
4.15
ALogP
3
HBA
1
HBD
58.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N3O2
MW 349.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.13

Activity Summary

Ki 1 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2B
CHEMBL1904
Ki 6.66 6.66 220.0 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