Compound Detail
CHEMBL2325912
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Basic Information
| ChEMBL ID | CHEMBL2325912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAQNSLRCRMSKBV-NFJWQWPMSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
1.33
ALogP
5
HBA
2
HBD
114.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 8.06 | 8.06 | 8.7 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 7.64 | 6.665 | 23.1 | 2 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 7.35 | 7.35 | 44.7 | 1 |
| JAK3/JAK1 CHEMBL3038491 | IC50 | 6.26 | 5.78 | 553.0 | 2 |
| JAK2/JAK1 CHEMBL3038492 | IC50 | 5.65 | 5.65 | 2260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 8.7 | nM | 8.06 | Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEY... | 23214979 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 23.1 | nM | 7.64 | Inhibition of JAK2 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEY... | 23214979 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 44.7 | nM | 7.35 | Inhibition of JAK1 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEY... | 23214979 |
| JAK3/JAK1 | IC50 | = | 553.0 | nM | 6.26 | Inhibition of JAK3/JAK1 in human PBMC expressing CD3 assessed as inhibition of I... | 23214979 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 2030.0 | nM | 5.69 | Inhibition of JAK2 in human PBMC expressing CD14 assessed as inhibition of GM-CS... | 23214979 |
| JAK2/JAK1 | IC50 | = | 2260.0 | nM | 5.65 | Inhibition of JAK2/JAK1 in human PBMC expressing CD14 assessed as inhibition of ... | 23214979 |
| JAK3/JAK1 | IC50 | = | 5020.0 | nM | 5.3 | Inhibition of JAK3/JAK1 in human whole blood expressing CD13 assessed as inhibit... | 23214979 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23214979 | 10.1021/jm301646k | JAK3/JAK1 | 2 |
| 23214979 | 10.1021/jm301646k | Tyrosine-protein kinase JAK2 | 2 |
| 23214979 | 10.1021/jm301646k | JAK2/JAK1 | 1 |
| 23214979 | 10.1021/jm301646k | Tyrosine-protein kinase JAK1 | 1 |
| 23214979 | 10.1021/jm301646k | Tyrosine-protein kinase JAK3 | 1 |
Data from ChEMBL 36 via Core Engine