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Compound Detail

CHEMBL383226

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CCc1c(Cl)sc2nc(O)c(-c3cccc(Oc4ccccc4)c3)c(O)c12

Basic Information

ChEMBL ID CHEMBL383226
Phase Preclinical
Structure Type MOL
InChI Key NMSGSKJHOXWVHZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

397.9
MW (Da)
6.38
ALogP
5
HBA
2
HBD
62.6
PSA (Ų)
0.42
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 C21H16ClNO3S
MW 397.88
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.55

Activity Summary

Ki 1 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
Ki 8.96 8.96 1.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor Ki = 1.11 nM 8.96 Inhibition of [3H]glycine binding to NMDA receptor in rat brain membranes 16451052

Literature References

PubMed DOI Target Context # Activities
16451052 10.1021/jm0503493 Mus musculus 2
16451052 10.1021/jm0503493 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine