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Compound Detail

CHEMBL310262

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CC[C@@]1(c2ccccc2)OC[C@@H]([C@H]2CCCCN2)O1

Basic Information

ChEMBL ID CHEMBL310262
Phase Preclinical
Structure Type MOL
InChI Key INOYCBNLWYEPSB-OWCLPIDISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

261.4
MW (Da)
2.81
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H23NO2
MW 261.36
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.89

Activity Summary

Ki 1 meas. best 5.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 5.64 5.64 2300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2903930 10.1021/jm00120a004 Glutamate NMDA receptor 1
2903930 10.1021/jm00120a004 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine