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Compound Detail

CHEMBL5583544

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Cl.O=C1OC(CCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL5583544
Phase Preclinical
Structure Type MOL
InChI Key FJRHJWWGORDWSH-UHFFFAOYSA-N
Parent Compound CHEMBL6069416
Active Moiety CHEMBL6069416
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.9
MW (Da)
4.15
ALogP
4
HBA
0
HBD
32.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24Cl2N2O2
MW 407.34
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.74

Activity Summary

Ki 1 meas. best 7.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2B
CHEMBL311
Ki 7.68 7.68 20.8 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