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Compound Detail

CHEMBL466089

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c1ccc(C[C@H](c2ccccc2)N2CCCCC2)cc1

Basic Information

ChEMBL ID CHEMBL466089
Phase Preclinical
Structure Type MOL
InChI Key JQWJJJYHVHNXJH-LJQANCHMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

265.4
MW (Da)
4.46
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N
MW 265.40
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.83

Activity Summary

Ki 1 meas. best 5.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 5.28 5.28 5250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor Ki = 5250.0 nM 5.28 Displacement of [3H]MK801 from NMDA receptor in rat brain neuronal membrane 19345586

Literature References

PubMed DOI Target Context # Activities
19345586 10.1016/j.bmc.2009.03.025 Glutamate NMDA receptor 2

Data from ChEMBL 36 via Core Engine