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Compound Detail

CHEMBL218275

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O=C(OCc1ccc(F)cc1)N1CCC(CNc2ncccn2)CC1

Basic Information

ChEMBL ID CHEMBL218275
Phase Preclinical
Structure Type MOL
InChI Key VENXXTPWWLYJQA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
3.08
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.90
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 C18H21FN4O2
MW 344.39
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.54

Activity Summary

Ki 1 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2B
CHEMBL1904
Ki 7.75 7.75 18.0 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