Compound Detail
CHEMBL320646
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Basic Information
| ChEMBL ID | CHEMBL320646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUTKMUVSZWBVRD-NVNXTCNLSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
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 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| T-cell CHEMBL614309 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| CTLL CHEMBL614565 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 350.0 | nM | 6.46 | Inhibitory activity against Janus Kinase 3 protein tyrosine kinase. | 12941344 |
| T-cell | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory activity against IL-2 induced proliferation in human T-cells | 12941344 |
| CTLL | IC50 | = | 2300.0 | nM | 5.64 | Inhibitory activity against IL-2 induced proliferation in mouse CTLL cells | 12941344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12941344 | 10.1016/s0960-894x(03)00657-7 | Tyrosine-protein kinase JAK3 | 1 |
| 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