Compound Detail
CHEMBL2178248
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Basic Information
| ChEMBL ID | CHEMBL2178248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQGLDOPILNOMIH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
349.8
MW (Da)
3.70
ALogP
5
HBA
1
HBD
72.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Ki | 7.81 | 7.81 | 15.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | Ki | = | 15.5 | nM | 7.81 | Inhibition of purified JAK2 incubated for 30 mins | 23061660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23061660 | 10.1021/jm3012239 | Unchecked | 3 |
| 23061660 | 10.1021/jm3012239 | Tyrosine-protein kinase JAK2 | 2 |
| 23061660 | 10.1021/jm3012239 | Cytochrome P450 2D6 | 1 |
| 23061660 | 10.1021/jm3012239 | Cytochrome P450 2C19 | 1 |
| 23061660 | 10.1021/jm3012239 | Cytochrome P450 1A2 | 1 |
| 23061660 | 10.1021/jm3012239 | Cytochrome P450 3A4 | 1 |
| 23061660 | 10.1021/jm3012239 | Cytochrome P450 2C9 | 1 |
Data from ChEMBL 36 via Core Engine