Compound Detail
CHEMBL2325897
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N#C[C@@H]1CCN(C(=O)[C@H](NC(=O)c2c[nH]c3ncc(C4CC4)nc23)C2CC2)C1
Basic Information
| ChEMBL ID | CHEMBL2325897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRLLXWRAXRGFBQ-MEDUHNTESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
378.4
MW (Da)
1.72
ALogP
5
HBA
2
HBD
114.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 9.33 | 9.33 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 0.47 | nM | 9.33 | Inhibition of JAK1 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEY... | 23214979 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23214979 | 10.1021/jm301646k | Tyrosine-protein kinase JAK1 | 1 |
| 23214979 | 10.1021/jm301646k | Tyrosine-protein kinase JAK2 | 1 |
| 23214979 | 10.1021/jm301646k | Tyrosine-protein kinase JAK3 | 1 |
Data from ChEMBL 36 via Core Engine