Compound Detail
CHEMBL2152303
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Basic Information
| ChEMBL ID | CHEMBL2152303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOPPQNKTLPWVND-OAHLLOKOSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
3.36
ALogP
4
HBA
1
HBD
49.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | Ki | 7.82 | 7.82 | 15.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Ki | 7.6 | 7.6 | 25.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | Ki | 7.05 | 7.05 | 89.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | Ki | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | Ki | = | 15.0 | nM | 7.82 | Inhibition of JAK1 | 22591402 |
| Tyrosine-protein kinase JAK2 | Ki | = | 25.0 | nM | 7.6 | Inhibition of JAK2 | 22591402 |
| Non-receptor tyrosine-protein kinase TYK2 | Ki | = | 89.0 | nM | 7.05 | Inhibition of TYK2 | 22591402 |
| Tyrosine-protein kinase JAK3 | Ki | = | 130.0 | nM | 6.89 | Inhibition of JAK3 | 22591402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22591402 | 10.1021/jm300438j | Tyrosine-protein kinase JAK1 | 1 |
| 22591402 | 10.1021/jm300438j | Tyrosine-protein kinase JAK2 | 1 |
| 22591402 | 10.1021/jm300438j | Tyrosine-protein kinase JAK3 | 1 |
| 22591402 | 10.1021/jm300438j | Non-receptor tyrosine-protein kinase TYK2 | 1 |
Data from ChEMBL 36 via Core Engine