Compound Detail
CHEMBL5175418
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Basic Information
| ChEMBL ID | CHEMBL5175418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYMVIDGHKYXJSP-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
363.5
MW (Da)
3.01
ALogP
6
HBA
4
HBD
90.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 4 CHEMBL4482 | IC50 | 8.23 | 8.23 | 5.9 | 3 |
| Serine/threonine-protein kinase PLK4 CHEMBL3788 | IC50 | 6.45 | 6.45 | 351.5 | 2 |
| A549 CHEMBL392 | IC50 | 5.6 | 5.6 | 2530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 4 | IC50 | = | 5.9 | nM | 8.23 | Inhibition of PAK4 (unknown origin) using S2 as substrate incubated for 60 mins ... | 35576702 |
| Serine/threonine-protein kinase PAK 4 | IC50 | = | 5.9 | nM | 8.23 | Inhibition of PAK4 (unknown origin) using S2 substrate incubated for 60 mins in ... | 37864885 |
| Serine/threonine-protein kinase PAK 4 | IC50 | = | 5.9 | nM | 8.23 | Inhibition of PAK4 (unknown origin) incubated for 60 mins by HTRF assay | 38199166 |
| Serine/threonine-protein kinase PLK4 | IC50 | = | 351.5 | nM | 6.45 | Inhibition of PLK4 (unknown origin) | 35576702 |
| Serine/threonine-protein kinase PLK4 | IC50 | = | 351.5 | nM | 6.45 | Inhibition of PLK4 (unknown origin) by discoverX kinome scan assay | 38199166 |
| A549 | IC50 | = | 2530.0 | nM | 5.6 | Antiproliferative activity against human A549 cells assessed as inhibition of ce... | 37864885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35576702 | 10.1016/j.ejmech.2022.114424 | Serine/threonine-protein kinase PLK4 | 2 |
| 35576702 | 10.1016/j.ejmech.2022.114424 | Serine/threonine-protein kinase PAK 4 | 1 |
| 37864885 | 10.1016/j.bmc.2023.117501 | Serine/threonine-protein kinase PAK 4 | 1 |
| 37864885 | 10.1016/j.bmc.2023.117501 | A549 | 1 |
| 38199166 | 10.1016/j.ejmech.2023.116115 | Serine/threonine-protein kinase PAK 4 | 1 |
| 38199166 | 10.1016/j.ejmech.2023.116115 | Serine/threonine-protein kinase PLK4 | 1 |
Data from ChEMBL 36 via Core Engine