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Compound Detail

CHEMBL5573361

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CC(C)c1ccc(N2CCN(CCCC3OC(=O)c4ccccc43)CC2)cc1.Cl

Basic Information

ChEMBL ID CHEMBL5573361
Phase Preclinical
Structure Type MOL
InChI Key YKTWOAHBSGUMKY-UHFFFAOYSA-N
Parent Compound CHEMBL6070153
Active Moiety CHEMBL6070153
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
4.62
ALogP
4
HBA
0
HBD
32.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31ClN2O2
MW 414.98
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.48

Activity Summary

Ki 1 meas. best 8.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2B
CHEMBL311
Ki 8.54 8.54 2.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38413367 10.1021/acs.jmedchem.3c01524 Glutamate receptor ionotropic, NMDA 2B 1

Data from ChEMBL 36 via Core Engine