Compound Detail
CHEMBL5191641
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Basic Information
| ChEMBL ID | CHEMBL5191641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INEFUANWAXXSHD-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
466.5
MW (Da)
4.41
ALogP
8
HBA
3
HBD
105.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK4 CHEMBL3788 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.61 | 5.61 | 2480.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.59 | 5.59 | 2560.0 | 1 |
| BT-474 CHEMBL614529 | IC50 | 5.14 | 5.14 | 7240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK4 | IC50 | = | 1.8 | nM | 8.74 | Inhibition of recombinant human PLK4 incubated for 60 mins by Lanthascreen Eu ki... | 35576702 |
| MCF7 | IC50 | = | 2480.0 | nM | 5.61 | Antiproliferative activity against human MCF7 cells assessed as cell growth inhi... | 35576702 |
| MDA-MB-231 | IC50 | = | 2560.0 | nM | 5.59 | Antiproliferative activity against human MDA-MB-231 cells assessed as cell growt... | 35576702 |
| BT-474 | IC50 | = | 7240.0 | nM | 5.14 | Antiproliferative activity against human BT-474 cells assessed as cell growth in... | 35576702 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35576702 | 10.1016/j.ejmech.2022.114424 | Serine/threonine-protein kinase PLK4 | 1 |
| 35576702 | 10.1016/j.ejmech.2022.114424 | MCF7 | 1 |
| 35576702 | 10.1016/j.ejmech.2022.114424 | BT-474 | 1 |
| 35576702 | 10.1016/j.ejmech.2022.114424 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine