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Compound Detail

CHEMBL71302

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C1=CCN(C2(c3ccccc3)CCCCC2)CC1

Basic Information

ChEMBL ID CHEMBL71302
Phase Preclinical
Structure Type MOL
InChI Key LAGQRENRTSANDN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

241.4
MW (Da)
4.11
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.70
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 C17H23N
MW 241.38
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.40

Activity Summary

Ki 1 meas. best 7.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2C
CHEMBL401
Ki 7.43 7.43 37.0 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