Compound Detail
CHEMBL3394765
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Basic Information
| ChEMBL ID | CHEMBL3394765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUESHCGRXYXZSP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
0.88
ALogP
5
HBA
2
HBD
68.9
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | IC50 | 5.73 | 5.73 | 1880.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.61 | 5.61 | 2440.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.4 | 5.4 | 3970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 | IC50 | = | 1880.0 | nM | 5.73 | Inhibition of recombinant Plk1 (unknown origin) preincubated for 30 mins before ... | 25556101 |
| MCF7 | IC50 | = | 2440.0 | nM | 5.61 | Antiproliferative activity against human MCF7 cells assessed as growth inhibitio... | 25556101 |
| HeLa | IC50 | = | 3970.0 | nM | 5.4 | Antiproliferative activity against human HeLa cells assessed as growth inhibitio... | 25556101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25556101 | 10.1016/j.bmcl.2014.12.060 | Serine/threonine-protein kinase PLK1 | 1 |
| 25556101 | 10.1016/j.bmcl.2014.12.060 | HeLa | 1 |
| 25556101 | 10.1016/j.bmcl.2014.12.060 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine