Compound Detail
CHEMBL61691
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Basic Information
| ChEMBL ID | CHEMBL61691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUBNTJNBSLKLOF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
482.7
MW (Da)
5.78
ALogP
4
HBA
2
HBD
58.5
PSA (Ų)
0.21
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.04
Ki 1 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanothione reductase CHEMBL5131 | Ki | 5.26 | 5.26 | 5500.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 5.04 | 5.04 | 9100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanothione reductase | Ki | = | 5500.0 | nM | 5.26 | Compound was evaluated for the competitive inhibition of trypanothione reduction... | - |
| Glutamate NMDA receptor | IC50 | = | 9100.0 | nM | 5.04 | 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 |
| - | 10.1016/0960-894X(95)00331-M | Glutathione reductase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine