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Compound Detail

CHEMBL5594337

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Cc1cccc2cc(C(=O)N3CCN(CCCC4OC(=O)c5ccccc54)CC3)[nH]c12

Basic Information

ChEMBL ID CHEMBL5594337
Phase Preclinical
Structure Type MOL
InChI Key OOGAJSJUYQSPLW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
3.93
ALogP
4
HBA
1
HBD
65.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N3O3
MW 417.51
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.68

Activity Summary

Ki 1 meas. best 7.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2B
CHEMBL311
Ki 7.55 7.55 27.9 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