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Compound Detail

CHEMBL324940

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O=C1COc2cc(C#CCCN3CCC(Cc4ccccc4)CC3)ccc2N1

Basic Information

ChEMBL ID CHEMBL324940
Phase Preclinical
Structure Type MOL
InChI Key NMTXQGIIEZHTFS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.5
MW (Da)
3.71
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.83
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 C24H26N2O2
MW 374.48
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.68

Activity Summary

IC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL2015
IC50 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10978188 10.1021/jm000023o Glutamate receptor ionotropic, NMDA 1 3

Data from ChEMBL 36 via Core Engine