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Compound Detail

CHEMBL5565776

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Cc1ccc(N2CCN(CCCC3OC(=O)c4ccccc43)CC2)cc1C.Cl

Basic Information

ChEMBL ID CHEMBL5565776
Phase Preclinical
Structure Type MOL
InChI Key KIHYRMGUJFXGKV-UHFFFAOYSA-N
Parent Compound CHEMBL6070435
Active Moiety CHEMBL6070435
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
4.12
ALogP
4
HBA
0
HBD
32.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29ClN2O2
MW 400.95
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.65

Activity Summary

Ki 1 meas. best 7.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2B
CHEMBL311
Ki 7.54 7.54 29.2 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