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Compound Detail

CHEMBL5567278

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O=C1OC(CCCN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL5567278
Phase Preclinical
Structure Type MOL
InChI Key BFCDQQABYKBSLT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
3.62
ALogP
4
HBA
1
HBD
65.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N3O3
MW 403.48
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.57

Activity Summary

Ki 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2B
CHEMBL311
Ki 8.1 8.1 8.0 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