Compound Detail
CHEMBL4633481
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Basic Information
| ChEMBL ID | CHEMBL4633481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGQLQUJVSPTQNZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
199.2
MW (Da)
1.50
ALogP
2
HBA
2
HBD
61.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 4.8 | 4.8 | 16000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 res... | 32462873 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of N-terminal GST-tagged human JAK1 (850 to 1154 residues) expressed ... | 34928151 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32462873 | 10.1021/acs.jmedchem.0c00359 | Tyrosine-protein kinase JAK1 | 1 |
| 34928151 | 10.1021/acs.jmedchem.1c01803 | Tyrosine-protein kinase JAK1 | 1 |
Data from ChEMBL 36 via Core Engine