Compound Detail
CHEMBL2386641
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 | CHEMBL2386641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODKRLHFQINJCSV-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
3.65
ALogP
4
HBA
2
HBD
66.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.48
Ki 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Ki | 7.12 | 7.12 | 76.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | EC50 | 6.48 | 6.48 | 330.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | EC50 | 5.36 | 5.36 | 4400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1.7 | mL.min-1.kg-1 | Homo sapiens |
| CL | 5.8 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | Ki | = | 13.0 | nM | 7.89 | Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Ty... | 23659214 |
| Tyrosine-protein kinase JAK2 | Ki | = | 76.0 | nM | 7.12 | Inhibition of recombinant JAK2 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Ty... | 23659214 |
| Tyrosine-protein kinase JAK1 | EC50 | = | 330.0 | nM | 6.48 | Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT... | 23659214 |
| Tyrosine-protein kinase JAK2 | EC50 | = | 4400.0 | nM | 5.36 | Inhibition of JAK2 in human TF1 cells assessed as inhibition of EPO-induced STAT... | 23659214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23659214 | 10.1021/jm4004895 | Unchecked | 2 |
| 23659214 | 10.1021/jm4004895 | Tyrosine-protein kinase JAK2 | 2 |
| 23659214 | 10.1021/jm4004895 | Tyrosine-protein kinase JAK1 | 2 |
| 23659214 | 10.1021/jm4004895 | Hepatocyte | 1 |
| 23659214 | 10.1021/jm4004895 | Liver microsomes | 1 |
| 23659214 | 10.1021/jm4004895 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine