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Compound Detail

CHEMBL199667

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CCc1csc2nc(O)c(-c3cccc(Oc4ccccc4)c3)c(O)c12

Basic Information

ChEMBL ID CHEMBL199667
Phase Preclinical
Structure Type MOL
InChI Key CYZKLLHNZJNLSB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
5.73
ALogP
5
HBA
2
HBD
62.6
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17NO3S
MW 363.44
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.64

Activity Summary

Ki 1 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 6.75 6.75 179.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor Ki = 179.0 nM 6.75 Inhibition of [3H]glycine binding to NMDA receptor in rat brain membranes 16451052

Literature References

PubMed DOI Target Context # Activities
16451052 10.1021/jm0503493 Glutamate NMDA receptor 1
16451052 10.1021/jm0503493 L cells 1

Data from ChEMBL 36 via Core Engine