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Compound Detail

CHEMBL5569784

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Cl.O=C1OC(CCCN2C[C@H]3C[C@@]3(c3ccc(Cl)c(Cl)c3)C2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL5569784
Phase Preclinical
Structure Type MOL
InChI Key VZSXJGKZFRGUSZ-NLACPILISA-N
Parent Compound CHEMBL6070443
Active Moiety CHEMBL6070443
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.3
MW (Da)
5.26
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.64
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22Cl3NO2
MW 438.78
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.27

Activity Summary

Ki 1 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2B
CHEMBL311
Ki 7.47 7.47 33.6 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 2

Data from ChEMBL 36 via Core Engine