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Compound Detail

CHEMBL325827

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O=C(c1ccsc1)c1c(O)nc2cc(Cl)ccc2c1O

Basic Information

ChEMBL ID CHEMBL325827
Phase Preclinical
Structure Type MOL
InChI Key YYHSREUVTNMVHL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

305.7
MW (Da)
3.59
ALogP
5
HBA
2
HBD
70.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H8ClNO3S
MW 305.74
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.38

Activity Summary

IC50 1 meas. best 5.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
IC50 5.71 5.71 1970.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 1970.0 nM 5.71 Binding affinity towards NMDA receptor to displace [3H]-L-689,560 from rat corti... 8230129

Literature References

PubMed DOI Target Context # Activities
8230129 10.1021/jm00074a020 Glutamate NMDA receptor 1
8230129 10.1021/jm00074a020 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine