Compound Detail
CHEMBL3622142
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3622142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNRVUHYHRIIHPZ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
4.78
ALogP
8
HBA
1
HBD
80.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.04 | 7.04 | 92.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 1.4 | nM | 8.85 | Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH subs... | 26288683 |
| NON-PROTEIN TARGET | IC50 | = | 92.0 | nM | 7.04 | Antiproliferative activity against human SET2 cells incubated for 72 hrs by [3H]... | 26288683 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 250.0 | nM | 6.6 | Inhibition of recombinant JAK1 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH subs... | 26288683 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 460.0 | nM | 6.34 | Inhibition of recombinant JAK3 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH subs... | 26288683 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 26288683 | 10.1021/acsmedchemlett.5b00226 | Liver microsome | 1 |
Data from ChEMBL 36 via Core Engine