Compound Detail
CHEMBL251973
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Basic Information
| ChEMBL ID | CHEMBL251973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCGRBTKXMFCNAP-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
3.67
ALogP
6
HBA
1
HBD
79.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.25
IC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | EC50 | 6.25 | 6.25 | 560.0 | 1 |
| Procathepsin L CHEMBL3837 | IC50 | 4.89 | 4.89 | 12940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | EC50 | = | 560.0 | nM | 6.25 | Antitrypanosomal activity against Trypanosoma brucei | 18173229 |
| Procathepsin L | IC50 | = | 12940.0 | nM | 4.89 | Inhibition of human liver cathepsin L | 18173229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18173229 | 10.1021/jm070760l | Cathepsin B-like cysteine protease | 1 |
| 18173229 | 10.1021/jm070760l | Trypanosoma brucei | 1 |
| 18173229 | 10.1021/jm070760l | Procathepsin L | 1 |
| 18173229 | 10.1021/jm070760l | Cathepsin B | 1 |
Data from ChEMBL 36 via Core Engine