Compound Detail
CHEMBL106571
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 | CHEMBL106571 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPQNQPZTVIHFSW-AUWJEWJLSA-N |
3
Targets
3
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
288.3
MW (Da)
2.96
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| T-cell CHEMBL614309 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| CTLL CHEMBL614565 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4579.0 | ng.hr.mL-1 | - |
| T1/2 | 3.3 | hr | - |
| Tmax | 0.5 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 30.0 | nM | 7.52 | Inhibitory activity against Janus Kinase 3 protein tyrosine kinase. | 12941344 |
| T-cell | IC50 | = | 30.0 | nM | 7.52 | Inhibitory activity against IL-2 induced proliferation of human T-cells | 12941344 |
| CTLL | IC50 | = | 450.0 | nM | 6.35 | Inhibitory activity against IL-2 induced proliferation of mouse CTLL cells | 12941344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12941344 | 10.1016/s0960-894x(03)00657-7 | ADMET | 4 |
| 12941344 | 10.1016/s0960-894x(03)00657-7 | Tyrosine-protein kinase JAK3 | 2 |
| 12941344 | 10.1016/s0960-894x(03)00657-7 | Unchecked | 1 |
| 12941344 | 10.1016/s0960-894x(03)00657-7 | CTLL | 1 |
| 12941344 | 10.1016/s0960-894x(03)00657-7 | T-cell | 1 |
Data from ChEMBL 36 via Core Engine