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Compound Detail

CHEMBL69614

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O=C(O)[C@@H]1C[C@H]2C[C@@H](CCCCc3nnn[nH]3)CC[C@H]2CN1

Basic Information

ChEMBL ID CHEMBL69614
Phase Preclinical
Structure Type MOL
InChI Key RAOLIHHDXLVRHB-RVMXOQNASA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
1.39
ALogP
5
HBA
3
HBD
103.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H25N5O2
MW 307.40
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.29

Activity Summary

IC50 2 meas. best 4.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 4.56 4.4 27600.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8667365 10.1021/jm950912p Glutamate NMDA receptor 2
8667365 10.1021/jm950912p Glutamate receptor ionotropic, AMPA 2
8667365 10.1021/jm950912p Glutamate receptor ionotropic, kainate 2

Data from ChEMBL 36 via Core Engine