Compound Detail
CHEMBL3360351
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Basic Information
| ChEMBL ID | CHEMBL3360351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MACBUYCJZAASKV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
4.42
ALogP
6
HBA
2
HBD
95.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 1.4 | nM | 8.85 | Inhibition of human recombinant JAK1 | 25369270 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25369270 | 10.1021/jm501262q | Unchecked | 3 |
| 25369270 | 10.1021/jm501262q | No relevant target | 1 |
| 25369270 | 10.1021/jm501262q | Tyrosine-protein kinase JAK1 | 1 |
| 25369270 | 10.1021/jm501262q | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine