Compound Detail
CHEMBL525893
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Basic Information
| ChEMBL ID | CHEMBL525893 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGFSMGCBFTXTJK-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
5
PK Parameters
20
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
3.99
ALogP
7
HBA
1
HBD
99.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.8 | 7.73 | 16.0 | 2 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 5.11 | 5.11 | 7800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 9860.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 7.667 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 3110.62 | nM | Rattus norvegicus |
| F | 39.0 | % | Rattus norvegicus |
| T1/2 | 2.6 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit | IC50 | = | 16.0 | nM | 7.8 | Inhibition of SCF-induced phosphorylation of c-Kit in MO7e cells by TR-FRET assa... | 18447379 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 22.0 | nM | 7.66 | Inhibition of c-Kit by TR-FRET assay | 18447379 |
| Tyrosine-protein kinase Lck | IC50 | = | 7800.0 | nM | 5.11 | Inhibition of Lck by TR-FRET assay | 18447379 |
| Unchecked | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of p38 by TR-FRET assay | 18447379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18447379 | 10.1021/jm800188g | Unchecked | 6 |
| 18447379 | 10.1021/jm800188g | Rattus norvegicus | 6 |
| 18447379 | 10.1021/jm800188g | Mast/stem cell growth factor receptor Kit | 2 |
| 18447379 | 10.1021/jm800188g | Ribosomal protein S6 kinase beta-1 | 1 |
| 18447379 | 10.1021/jm800188g | Vascular endothelial growth factor receptor 2 | 1 |
| 18447379 | 10.1021/jm800188g | Serine/threonine-protein kinase D2 | 1 |
| 18447379 | 10.1021/jm800188g | Mitogen-activated protein kinase 3 | 1 |
| 18447379 | 10.1021/jm800188g | Serine/threonine-protein kinase MARK1 | 1 |
| 18447379 | 10.1021/jm800188g | Fibroblast growth factor receptor 1 | 1 |
| 18447379 | 10.1021/jm800188g | Insulin-like growth factor 1 receptor | 1 |
| 18447379 | 10.1021/jm800188g | Serine/threonine-protein kinase PAK 2 | 1 |
| 18447379 | 10.1021/jm800188g | Serine/threonine-protein kinase 3 | 1 |
| 18447379 | 10.1021/jm800188g | Protein kinase C beta type | 1 |
| 18447379 | 10.1021/jm800188g | MAP kinase-activated protein kinase 5 | 1 |
| 18447379 | 10.1021/jm800188g | Ribosomal protein S6 kinase alpha-1 | 1 |
| 18447379 | 10.1021/jm800188g | Protein kinase C zeta type | 1 |
| 18447379 | 10.1021/jm800188g | Aurora kinase A | 1 |
| 18447379 | 10.1021/jm800188g | MAP kinase-activated protein kinase 2 | 1 |
| 18447379 | 10.1021/jm800188g | Tyrosine-protein kinase ABL1 | 1 |
| 18447379 | 10.1021/jm800188g | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine