Compound Detail
CHEMBL41307
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Basic Information
| ChEMBL ID | CHEMBL41307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUSNPFGLKGCWGN-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
200.3
MW (Da)
-0.70
ALogP
4
HBA
2
HBD
58.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.3
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | EC50 | 4.3 | 4.3 | 50100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 5000.0 | nM | 5.3 | Inhibitory activity against Trypanosoma cruzi trypomastigotes | 10386937 |
| Glutamate NMDA receptor | EC50 | = | 50100.0 | nM | 4.3 | Ability to enhance [3H]MK-801 binding to NMDA receptors in rat forebrain membran... | 8523402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8523402 | 10.1021/jm00025a006 | Glutamate NMDA receptor | 2 |
| 10386937 | 10.1016/s0960-894x(99)00226-7 | Trypanosoma cruzi | 1 |
| 10386937 | 10.1016/s0960-894x(99)00226-7 | Trypanothione reductase | 1 |
Data from ChEMBL 36 via Core Engine