Compound Detail
CHEMBL1934334
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Basic Information
| ChEMBL ID | CHEMBL1934334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLTMYDRAYRGWMO-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
21
PK Parameters
15
Publications
0
Known Names
Molecular Properties
486.6
MW (Da)
3.82
ALogP
8
HBA
2
HBD
107.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor) CHEMBL2111387 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Insulin receptor CHEMBL1981 | IC50 | 6.65 | 6.65 | 222.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 42534.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 7552.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 1765.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1106.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 2.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 12.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 7137.57 | nM | Mus musculus |
| Cmax | 805.62 | nM | Rattus norvegicus |
| F | 56.0 | % | Mus musculus |
| F | 43.0 | % | Rattus norvegicus |
| T1/2 | 6.0 | hr | Mus musculus |
| T1/2 | 0.6667 | hr | Homo sapiens |
| T1/2 | 0.6667 | hr | Macaca mulatta |
| T1/2 | 0.6667 | hr | Rattus norvegicus |
| T1/2 | 0.6667 | hr | Mus musculus |
| T1/2 | 4.4 | hr | Mus musculus |
| T1/2 | 3.4 | hr | Rattus norvegicus |
| Tmax | 6.0 | hr | Rattus norvegicus |
| Tmax | 2.0 | hr | Mus musculus |
| Vd | 3.5 | L.kg-1 | Rattus norvegicus |
| Vd | 1.1 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 6.0 | nM | 8.22 | Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in S... | 22141319 |
| Focal adhesion kinase 1 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of human recombinant FAK expressed in baculovirus expression system a... | 22169263 |
| NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor) | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based... | 22141319 |
| Insulin receptor | IC50 | = | 222.0 | nM | 6.65 | Inhibition of IR | 22141319 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 250.0 | nM | 6.6 | Inhibition of human recombinant JAK2 expressed in baculovirus expression system ... | 22169263 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22141319 | 10.1021/jm2010767 | Mus musculus | 15 |
| 22141319 | 10.1021/jm2010767 | Rattus norvegicus | 8 |
| 22141319 | 10.1021/jm2010767 | NON-PROTEIN TARGET | 4 |
| 22141319 | 10.1021/jm2010767 | Liver microsomes | 3 |
| 22141319 | 10.1021/jm2010767 | Plasma | 2 |
| 22141319 | 10.1021/jm2010767 | ADMET | 2 |
| 22141319 | 10.1021/jm2010767 | Unchecked | 2 |
| 22141319 | 10.1021/jm2010767 | K562 | 2 |
| 22141319 | 10.1021/jm2010767 | KARPAS-299 | 2 |
| 22169263 | 10.1016/j.bmcl.2011.11.049 | Tyrosine-protein kinase JAK2 | 1 |
| 22169263 | 10.1016/j.bmcl.2011.11.049 | Focal adhesion kinase 1 | 1 |
| 22141319 | 10.1021/jm2010767 | Insulin receptor | 1 |
| 22141319 | 10.1021/jm2010767 | NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor) | 1 |
| 22141319 | 10.1021/jm2010767 | ALK tyrosine kinase receptor | 1 |
| 22141319 | 10.1021/jm2010767 | Liver | 1 |
Data from ChEMBL 36 via Core Engine