Compound Detail
CHEMBL5853680
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Basic Information
| ChEMBL ID | CHEMBL5853680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGYDMBQWFWOTHF-MGPQQGTHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
3.48
ALogP
5
HBA
2
HBD
90.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.3 | 7.3 | 49.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 0.2 | nM | 9.7 | Enzymatic Inhibition Assay: Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standar... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 0.6 | nM | 9.22 | Enzymatic Inhibition Assay: Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standar... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 49.7 | nM | 7.3 | Enzymatic Inhibition Assay: Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standar... | - |
Data from ChEMBL 36 via Core Engine