Compound Detail
CHEMBL5558384
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Basic Information
| ChEMBL ID | CHEMBL5558384 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLMCOCZPXZNLHD-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
1.80
ALogP
4
HBA
1
HBD
44.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.9 | 6.9 | 126.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.67 | 5.67 | 2150.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.51 | 5.51 | 3110.0 | 1 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 5.16 | 5.16 | 6960.0 | 1 |
| WI-38 CHEMBL614391 | IC50 | 4.9 | 4.9 | 12460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 126.0 | nM | 6.9 | Inhibition of GST-tagged human recombinant VEGFR2 | 38728867 |
| PC-3 | IC50 | = | 2150.0 | nM | 5.67 | Antiproliferative activity against human PC-3 cells assessed as cell growth inhi... | 38728867 |
| HepG2 | IC50 | = | 3110.0 | nM | 5.51 | Antiproliferative activity against human HepG2 cells assessed as cell growth inh... | 38728867 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 6960.0 | nM | 5.16 | Inhibition of AKT1 (unknown origin) | 38728867 |
| WI-38 | IC50 | = | 12460.0 | nM | 4.9 | Antiproliferative activity against human WI-38 cells assessed as cell growth inh... | 38728867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38728867 | 10.1016/j.ejmech.2024.116472 | Vascular endothelial growth factor receptor 2 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | HepG2 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | PC-3 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | WI-38 | 1 |
| 38728867 | 10.1016/j.ejmech.2024.116472 | RAC-alpha serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine