Compound Detail
CHEMBL1357558
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Basic Information
| ChEMBL ID | CHEMBL1357558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLBQZWRITKRQQV-MRXNPFEDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
370.6
MW (Da)
5.89
ALogP
4
HBA
0
HBD
6.5
PSA (Ų)
0.62
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 5.15 | 5.15 | 7030.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.78 | 4.78 | 16570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 7030.0 | nM | 5.15 | Inhibition of PIM-1 (unknown origin) after 1 hr by HTRF assay | - |
| Trypanosoma brucei rhodesiense | IC50 | = | 16570.0 | nM | 4.78 | DNDI: HAT in Vitro, 72 hour | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28671460 | 10.1021/acs.jmedchem.7b00285 | Myeloperoxidase | 4 |
| - | 10.6019/CHEMBL3392926 | Leishmania donovani | 2 |
| - | 10.6019/CHEMBL3392926 | NON-PROTEIN TARGET | 2 |
| - | 10.1039/C4MD00030G | Serine/threonine-protein kinase pim-1 | 1 |
| - | 10.6019/CHEMBL3392926 | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL3392926 | Trypanosoma brucei rhodesiense | 1 |
Data from ChEMBL 36 via Core Engine