Compound Detail
CHEMBL5598465
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Basic Information
| ChEMBL ID | CHEMBL5598465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAEDYRXLLZSZRO-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
4.38
ALogP
4
HBA
1
HBD
74.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PC-3 CHEMBL390 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.55 | 5.55 | 2790.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.43 | 5.43 | 3710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-3 | IC50 | = | 5.24 | nM | 8.28 | Antiproliferative activity against human PC-3 cells measured after 72 hrs by MTT... | 38733884 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of PIM-1 (unknown origin) | 38733884 |
| HCT-116 | IC50 | = | 2790.0 | nM | 5.55 | Antiproliferative activity against human HCT-116 cells assessed as reduction in ... | 38733884 |
| MDA-MB-231 | IC50 | = | 3710.0 | nM | 5.43 | Antiproliferative activity against human MDA-MB-231 cells assessed as reduction ... | 38733884 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38733884 | 10.1016/j.ejmech.2024.116477 | Hepatocyte growth factor receptor | 1 |
| 38733884 | 10.1016/j.ejmech.2024.116477 | MDA-MB-231 | 1 |
| 38733884 | 10.1016/j.ejmech.2024.116477 | PC-3 | 1 |
| 38733884 | 10.1016/j.ejmech.2024.116477 | HCT-116 | 1 |
| 38733884 | 10.1016/j.ejmech.2024.116477 | Serine/threonine-protein kinase pim-1 | 1 |
Data from ChEMBL 36 via Core Engine