Compound Detail
CHEMBL2386644
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Basic Information
| ChEMBL ID | CHEMBL2386644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGFAJWBMCYHJFG-ZDUSSCGKSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
2.44
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.5
Ki 2 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | Ki | 8.14 | 8.14 | 7.2 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Ki | 7.31 | 7.31 | 49.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | EC50 | 6.5 | 6.5 | 320.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | EC50 | 5.33 | 5.33 | 4700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | Ki | = | 7.2 | nM | 8.14 | Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Ty... | 23659214 |
| Tyrosine-protein kinase JAK2 | Ki | = | 49.0 | nM | 7.31 | Inhibition of recombinant JAK2 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Ty... | 23659214 |
| Tyrosine-protein kinase JAK1 | EC50 | = | 320.0 | nM | 6.5 | Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT... | 23659214 |
| Tyrosine-protein kinase JAK2 | EC50 | = | 4700.0 | nM | 5.33 | Inhibition of JAK2 in human TF1 cells assessed as inhibition of EPO-induced STAT... | 23659214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23659214 | 10.1021/jm4004895 | Unchecked | 2 |
| 23659214 | 10.1021/jm4004895 | Tyrosine-protein kinase JAK2 | 2 |
| 23659214 | 10.1021/jm4004895 | Tyrosine-protein kinase JAK1 | 2 |
Data from ChEMBL 36 via Core Engine