Compound Detail
CHEMBL2407901
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Basic Information
| ChEMBL ID | CHEMBL2407901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGGMHYCPDXPSRF-UHFFFAOYSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
2.40
ALogP
8
HBA
2
HBD
104.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.3
Ki 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| NCI-H1299 CHEMBL612255 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| U-87 MG CHEMBL614247 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Serine/threonine-protein kinase PLK4 CHEMBL3788 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Serine/threonine-protein kinase PLK4 CHEMBL3788 | Ki | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 5.0 | nM | 8.3 | Antiproliferative activity against human A2780 cells assessed as reduction in ce... | 38199166 |
| HCT-116 | IC50 | = | 5.0 | nM | 8.3 | Antiproliferative activity against human HCT-116 cells assessed as reduction in ... | 38199166 |
| NCI-H1299 | IC50 | = | 5.0 | nM | 8.3 | Antiproliferative activity against human NCI-H1299 cells assessed as reduction i... | 38199166 |
| MDA-MB-231 | IC50 | = | 5.0 | nM | 8.3 | Antiproliferative activity against human MDA-MB-231 cells assessed as reduction ... | 38199166 |
| U-87 MG | IC50 | = | 5.0 | nM | 8.3 | Antiproliferative activity against human U-87 MG cells assessed as reduction in ... | 38199166 |
| Serine/threonine-protein kinase PLK4 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of PLK4 (unknown origin) | 38199166 |
| Serine/threonine-protein kinase PLK4 | Ki | = | 25.0 | nM | 7.6 | Inhibition of human PLK4 | 23829549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23829549 | 10.1021/jm400380m | Serine/threonine-protein kinase PLK4 | 1 |
| 38199166 | 10.1016/j.ejmech.2023.116115 | Serine/threonine-protein kinase PLK4 | 1 |
| 38199166 | 10.1016/j.ejmech.2023.116115 | A2780 | 1 |
| 38199166 | 10.1016/j.ejmech.2023.116115 | HCT-116 | 1 |
| 38199166 | 10.1016/j.ejmech.2023.116115 | NCI-H1299 | 1 |
| 38199166 | 10.1016/j.ejmech.2023.116115 | MDA-MB-231 | 1 |
| 38199166 | 10.1016/j.ejmech.2023.116115 | U-87 MG | 1 |
Data from ChEMBL 36 via Core Engine