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Compound Detail

CHEMBL302321

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Oc1cccc(C2(N3CC=CCC3)CCCCC2)c1

Basic Information

ChEMBL ID CHEMBL302321
Phase Preclinical
Structure Type MOL
InChI Key JJEDYKYAQOYJND-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

257.4
MW (Da)
3.81
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23NO
MW 257.38
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.75

Activity Summary

Ki 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2C
CHEMBL401
Ki 8.15 8.15 7.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2374147 10.1021/jm00170a027 Glutamate receptor ionotropic, NMDA 2C 1
2374147 10.1021/jm00170a027 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine