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Compound Detail

CHEMBL1375097

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O=C(O)CNS(=O)(=O)c1ccc2nc(O)c(O)nc2c1

Basic Information

ChEMBL ID CHEMBL1375097
Phase Preclinical
Structure Type MOL
InChI Key GKZUIFYTNMKFAF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

299.3
MW (Da)
-0.60
ALogP
7
HBA
4
HBD
149.7
PSA (Ų)
0.58
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 C10H9N3O6S
MW 299.26
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.33

Activity Summary

Ki 1 meas. best 4.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate [NMDA] receptor
CHEMBL2094124
Ki 4.28 4.28 53000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate [NMDA] receptor Ki = 53000.0 nM 4.28 Binding affinity to NMDA receptor (unknown origin) 34998058

Literature References

PubMed DOI Target Context # Activities
34998058 10.1016/j.ejmech.2021.114085 Glutamate receptor ionotropic AMPA 1
34998058 10.1016/j.ejmech.2021.114085 Glutamate receptor ionotropic, kainate 1 1
34998058 10.1016/j.ejmech.2021.114085 Glutamate receptor ionotropic, kainate 2 1
34998058 10.1016/j.ejmech.2021.114085 Glutamate receptor ionotropic, kainate 3 1
34998058 10.1016/j.ejmech.2021.114085 Unchecked 1
34998058 10.1016/j.ejmech.2021.114085 Glutamate [NMDA] receptor 1

Data from ChEMBL 36 via Core Engine