Compound Detail
CHEMBL4648837
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4648837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IACRSHDPMMMKDK-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
2
PK Parameters
12
Publications
0
Known Names
Molecular Properties
455.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.01 | 6.01 | 971.6 | 1 |
| JeKo-1 CHEMBL4296445 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Ramos CHEMBL614629 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| HEL CHEMBL613888 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
| Raji CHEMBL614628 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 24.8 | mL.min-1.g-1 | Homo sapiens |
| T1/2 | 0.9317 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 0.5 | nM | 9.3 | Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues... | 31843459 |
| Tyrosine-protein kinase BTK | IC50 | = | 2.9 | nM | 8.54 | Inhibition of recombinant human His-tagged full length BTK expressed in baculovi... | 31843459 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 971.6 | nM | 6.01 | Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues... | 31843459 |
| JeKo-1 | IC50 | = | 1200.0 | nM | 5.92 | Antiproliferative activity against human JeKo1 cells assessed as reduction in ce... | 31843459 |
| Ramos | IC50 | = | 2300.0 | nM | 5.64 | Antiproliferative activity against human Ramos cells assessed as reduction in ce... | 31843459 |
| HEL | IC50 | = | 5100.0 | nM | 5.29 | Antiproliferative activity against human HEL cells assessed as reduction in cell... | 31843459 |
| Raji | IC50 | = | 6800.0 | nM | 5.17 | Antiproliferative activity against human Raji cells assessed as reduction in cel... | 31843459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31843459 | 10.1016/j.bmc.2019.115236 | Unchecked | 3 |
| 31843459 | 10.1016/j.bmc.2019.115236 | ADMET | 3 |
| 31843459 | 10.1016/j.bmc.2019.115236 | Ramos | 1 |
| 31843459 | 10.1016/j.bmc.2019.115236 | OCI-Ly10 | 1 |
| 31843459 | 10.1016/j.bmc.2019.115236 | JeKo-1 | 1 |
| 31843459 | 10.1016/j.bmc.2019.115236 | HEL | 1 |
| 31843459 | 10.1016/j.bmc.2019.115236 | Raji | 1 |
| 31843459 | 10.1016/j.bmc.2019.115236 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
| 31843459 | 10.1016/j.bmc.2019.115236 | Tyrosine-protein kinase JAK3 | 1 |
| 31843459 | 10.1016/j.bmc.2019.115236 | Tyrosine-protein kinase JAK2 | 1 |
| 31843459 | 10.1016/j.bmc.2019.115236 | Tyrosine-protein kinase JAK1 | 1 |
| 31843459 | 10.1016/j.bmc.2019.115236 | Tyrosine-protein kinase BTK | 1 |
Data from ChEMBL 36 via Core Engine