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Compound Detail

CHEMBL359908

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O=C(O)/C(=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1cccs1

Basic Information

ChEMBL ID CHEMBL359908
Phase Preclinical
Structure Type MOL
InChI Key NDFGFTMXIPIQNG-SOFGYWHQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.2
MW (Da)
4.86
ALogP
3
HBA
3
HBD
90.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H9Cl2NO4S
MW 382.22
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 8.05 8.05 9.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15715469 10.1021/jm0491849 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine