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Compound Detail

CHEMBL3356826

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CN(C(=N)Nc1cccc2ccccc12)c1cccc(OCc2ccccc2)c1

Basic Information

ChEMBL ID CHEMBL3356826
Phase Preclinical
Structure Type MOL
InChI Key HPZYHCMIMARLOZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.5
MW (Da)
5.90
ALogP
2
HBA
2
HBD
48.4
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N3O
MW 381.48
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.02

Activity Summary

Ki 1 meas. best 6.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 6.15 6.15 701.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor Ki = 701.0 nM 6.15 Displacement of [3H]TCP from rat brain NMDA receptor 25499436

Literature References

PubMed DOI Target Context # Activities
25499436 10.1016/j.bmcl.2014.11.066 Glutamate NMDA receptor 2

Data from ChEMBL 36 via Core Engine