Compound Detail
CHEMBL1834949
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 | CHEMBL1834949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHCIMODDPPJZBX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
278.3
MW (Da)
3.61
ALogP
2
HBA
1
HBD
37.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 13.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 89.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 720.0 | nM | 6.14 | Inhibition of JAK3 | 21942426 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of JAK2 | 21942426 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21942426 | 10.1021/jm200909u | Rattus norvegicus | 2 |
| 21942426 | 10.1021/jm200909u | No relevant target | 2 |
| 21942426 | 10.1021/jm200909u | Unchecked | 1 |
| 21942426 | 10.1021/jm200909u | Tyrosine-protein kinase JAK3 | 1 |
| 21942426 | 10.1021/jm200909u | Tyrosine-protein kinase JAK2 | 1 |
Data from ChEMBL 36 via Core Engine