Compound Detail
CHEMBL4787224
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Basic Information
| ChEMBL ID | CHEMBL4787224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYAGCTLZTXSMKI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
3.02
ALogP
6
HBA
3
HBD
91.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 5.59 | 5.59 | 2580.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 2580.0 | nM | 5.59 | Inhibition of recombinant JAK3 (unknown origin) using GFP-STAT1 as substrate inc... | 33428419 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 8400.0 | nM | 5.08 | Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate inc... | 33428419 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33428419 | 10.1021/acs.jmedchem.0c01026 | Unchecked | 2 |
| 33428419 | 10.1021/acs.jmedchem.0c01026 | Tyrosine-protein kinase JAK1 | 1 |
| 33428419 | 10.1021/acs.jmedchem.0c01026 | Tyrosine-protein kinase JAK2 | 1 |
| 33428419 | 10.1021/acs.jmedchem.0c01026 | Tyrosine-protein kinase JAK3 | 1 |
Data from ChEMBL 36 via Core Engine