Compound Detail
CHEMBL58084
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
Basic Information
| ChEMBL ID | CHEMBL58084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTDTVIBDLIBKTM-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.6
MW (Da)
3.47
ALogP
4
HBA
2
HBD
58.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.42
Ki 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanothione reductase CHEMBL5131 | Ki | 4.72 | 4.72 | 19000.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanothione reductase | Ki | = | 19000.0 | nM | 4.72 | Compound was evaluated for the competitive inhibition of trypanothione reduction... | - |
| Glutamate NMDA receptor | IC50 | = | 38000.0 | nM | 4.42 | Inhibition of [3H]MK-801 binding to rat NMDA receptor | 16563762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16563762 | 10.1016/j.bmcl.2006.03.015 | Glutamate NMDA receptor | 2 |
| - | 10.1016/0960-894X(95)00331-M | Trypanothione reductase | 1 |
Data from ChEMBL 36 via Core Engine