Compound Detail
CHEMBL3622148
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Basic Information
| ChEMBL ID | CHEMBL3622148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AURRZUHEFHUFLC-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
3.98
ALogP
8
HBA
1
HBD
85.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 8.82 | 8.82 | 1.5 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 1.5 | nM | 8.82 | Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH subs... | 26288683 |
| NON-PROTEIN TARGET | IC50 | = | 55.0 | nM | 7.26 | Antiproliferative activity against human SET2 cells incubated for 72 hrs by [3H]... | 26288683 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of recombinant JAK3 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH subs... | 26288683 |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 220.0 | nM | 6.66 | Inhibition of recombinant TYK2 (unknown origin) by scintillation counting method | 26288683 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 330.0 | nM | 6.48 | Inhibition of recombinant JAK1 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH subs... | 26288683 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26288683 | 10.1021/acsmedchemlett.5b00226 | Unchecked | 3 |
| 26288683 | 10.1021/acsmedchemlett.5b00226 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 26288683 | 10.1021/acsmedchemlett.5b00226 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
| 26288683 | 10.1021/acsmedchemlett.5b00226 | NON-PROTEIN TARGET | 1 |
| 26288683 | 10.1021/acsmedchemlett.5b00226 | Tyrosine-protein kinase JAK3 | 1 |
| 26288683 | 10.1021/acsmedchemlett.5b00226 | Tyrosine-protein kinase JAK1 | 1 |
| 26288683 | 10.1021/acsmedchemlett.5b00226 | Tyrosine-protein kinase JAK2 | 1 |
Data from ChEMBL 36 via Core Engine