Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL126035

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)c(Cl)cc2nc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL126035
Phase Preclinical
Structure Type MOL
InChI Key KEFJRXOVMHQELF-UHFFFAOYSA-N
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

398.2
MW (Da)
2.76
ALogP
6
HBA
2
HBD
109.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H9Cl2N3O4S
MW 398.23
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.15

Activity Summary

IC50 8 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 6.92 6.92 120.0 1
Glutamate [NMDA] receptor
CHEMBL2094124
 IC50 6.92 6.92 120.0 1
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
 IC50 5.37 5.37 4300.0 2
Glutamate receptor ionotropic AMPA
CHEMBL2096670
 IC50 5.37 5.37 4300.0 1
Rattus norvegicus
CHEMBL376
 IC50 4.96 4.96 11000.0 1
Glutamate receptor ionotropic, NMDA 2C
CHEMBL401
 IC50 4.96 4.96 11000.0 1
Glutamate receptor ionotropic kainate
CHEMBL2109241
 IC50 4.71 4.71 19700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate [NMDA] receptor IC50 = 120.0 nM 6.92 Tested for the affinity to the glycine site -NMDA receptor using [3H]Gly as radi... -
Glutamate NMDA receptor IC50 = 120.0 nM 6.92 In vitro inhibition of [3H]glycine at NMDA receptor 7990104
Glutamate receptor ionotropic AMPA IC50 = 4300.0 nM 5.37 Tested for the affinity to the Ionotropic glutamate receptor AMPA using [3H]-AMP... -
Glutamate receptor ionotropic, AMPA IC50 = 4300.0 nM 5.37 Binding affinity was determined against ionotropic glutamate receptor AMPA in ra... 7562904
Glutamate receptor ionotropic, AMPA IC50 = 4300.0 nM 5.37 Binding affinity was determined against ionotropic glutamate receptor AMPA in ra... 7562904
Rattus norvegicus IC50 = 11000.0 nM 4.96 Tested for the ability to suppress the spontaneous epileptiform discharge rate i... -
Glutamate receptor ionotropic, NMDA 2C IC50 = 11000.0 nM 4.96 Compound was evaluated for in vitro inhibition of cortical slice at NMDA recepto... 7990104
Glutamate receptor ionotropic kainate IC50 = 19700.0 nM 4.71 Tested for the affinity for the Ionotropic glutamate receptor kainate using [3H]... -

Literature References

PubMed DOI Target Context # Activities
7562904 10.1021/jm00019a003 Glutamate receptor ionotropic, AMPA 2
- 10.1016/S0960-894X(00)80095-5 Glutamate [NMDA] receptor 1
- 10.1016/S0960-894X(00)80095-5 Glutamate receptor ionotropic AMPA 1
- 10.1016/S0960-894X(00)80095-5 Glutamate receptor ionotropic kainate 1
- 10.1016/S0960-894X(00)80095-5 No relevant target 1
- 10.1016/S0960-894X(00)80095-5 Rattus norvegicus 1
7990104 10.1021/jm00050a001 Glutamate NMDA receptor 1
7990104 10.1021/jm00050a001 Glutamate receptor ionotropic, NMDA 2C 1
7990104 10.1021/jm00050a001 Mus musculus 1

Data from ChEMBL 36 via Core Engine