Compound Detail
CHEMBL3133836
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Basic Information
| ChEMBL ID | CHEMBL3133836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNXMQJGTZHNPCN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
358.9
MW (Da)
5.82
ALogP
3
HBA
0
HBD
6.5
PSA (Ų)
0.68
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 5.09 | 5.09 | 8160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 8160.0 | nM | 5.09 | Inhibition of PIM-1 (unknown origin) after 1 hr by HTRF assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28039773 | 10.1016/j.ejmech.2016.12.042 | Mycobacterium tuberculosis | 5 |
| - | 10.1039/C4MD00030G | Serine/threonine-protein kinase pim-1 | 1 |
| 28039773 | 10.1016/j.ejmech.2016.12.042 | Mycolicibacterium smegmatis | 1 |
| 28039773 | 10.1016/j.ejmech.2016.12.042 | Mycobacterium tuberculosis variant bovis | 1 |
| 28039773 | 10.1016/j.ejmech.2016.12.042 | MRC5 | 1 |
| 28039773 | 10.1016/j.ejmech.2016.12.042 | J774 | 1 |
| 28039773 | 10.1016/j.ejmech.2016.12.042 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine