Compound Detail
CHEMBL2325899
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Basic Information
| ChEMBL ID | CHEMBL2325899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFTVSOUVOHMGDQ-VIFPVBQESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
272.4
MW (Da)
2.61
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 8.11 | 8.11 | 7.8 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 7.49 | 7.49 | 32.6 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 7.35 | 7.35 | 44.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 7.8 | nM | 8.11 | Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEY... | 23214979 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 32.6 | nM | 7.49 | Inhibition of JAK2 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEY... | 23214979 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 44.8 | nM | 7.35 | 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