Compound Detail
CHEMBL5613782
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Basic Information
| ChEMBL ID | CHEMBL5613782 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMSMZWVAMDIAJN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
3.97
ALogP
6
HBA
1
HBD
90.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Murine hepatitis virus CHEMBL613733 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 11.0 | nM | 7.96 | Inhibition of Nano Luc-fused CSNK2A (unknown origin) expressed in HEK293 cells u... | 38199328 |
| Serine/threonine-protein kinase pim-3 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of Nano Luc-fused PIM3 (unknown origin) expressed in HEK293 cells usi... | 38199328 |
| Murine hepatitis virus | IC50 | = | 3200.0 | nM | 5.5 | Antiviral activity against MHV expressing nLuc infected in human DB cells assess... | 38199328 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38199328 | 10.1016/j.bmcl.2024.129617 | Unchecked | 2 |
| 38199328 | 10.1016/j.bmcl.2024.129617 | Serine/threonine-protein kinase pim-3 | 1 |
| 38199328 | 10.1016/j.bmcl.2024.129617 | Murine hepatitis virus | 1 |
Data from ChEMBL 36 via Core Engine