Compound Detail
CHEMBL5429688
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Basic Information
| ChEMBL ID | CHEMBL5429688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGTHLADJAXIWDU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
4.19
ALogP
7
HBA
2
HBD
101.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL1649049 | IC50 | 6.74 | 6.74 | 182.4 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.38 | 6.38 | 421.1 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.78 | 5.78 | 1665.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.638 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 182.4 | nM | 6.74 | Inhibition of JAK2 V617F mutant in mouse BaF3 cells | 37583815 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 421.1 | nM | 6.38 | Inhibition of JAK2 V617F mutant in human SET2 cells | 37583815 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 1665.4 | nM | 5.78 | Inhibition of FLT3 in human MOLM-13 cells | 37583815 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37583815 | 10.1021/acsmedchemlett.3c00251 | Tyrosine-protein kinase JAK2 | 3 |
| 37583815 | 10.1021/acsmedchemlett.3c00251 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 37583815 | 10.1021/acsmedchemlett.3c00251 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine