Compound Detail
CHEMBL5204474
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Basic Information
| ChEMBL ID | CHEMBL5204474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSQVLTAFLRLYCM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
2.71
ALogP
6
HBA
1
HBD
55.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 6.05 | 6.05 | 880.6 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.52 | 4.52 | 29970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase pim-1 | IC50 | = | 880.6 | nM | 6.05 | Inhibition of Pim-1 (unknown origin) measured by ADP-Glo kinase assay | 35779826 |
| MDA-MB-231 | IC50 | = | 29970.0 | nM | 4.52 | Antiproliferative activity against human MDA-MD-231 cells measured by cell viabi... | 35779826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35779826 | 10.1016/j.bmcl.2022.128874 | Serine/threonine-protein kinase pim-1 | 1 |
| 35779826 | 10.1016/j.bmcl.2022.128874 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine