Compound Detail
CHEMBL3601235
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Basic Information
| ChEMBL ID | CHEMBL3601235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJOAVUHTQSUCDC-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
500.9
MW (Da)
4.73
ALogP
7
HBA
3
HBD
91.4
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.0 | 7.0 | 99.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.46 | 6.46 | 351.0 | 1 |
| Dual specificity protein kinase TTK CHEMBL3983 | IC50 | 6.45 | 6.45 | 355.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 6.3 | 6.3 | 495.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of JAK3 (unknown origin) by Z'-Lyte assay | 26258521 |
| NON-PROTEIN TARGET | IC50 | = | 99.0 | nM | 7.0 | Antiproliferative activity against mouse BA/F3 cells expressing TEL-JAK3 after 7... | 26258521 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 351.0 | nM | 6.46 | Inhibition of JAK2 (unknown origin) by Z'-Lyte assay | 26258521 |
| Dual specificity protein kinase TTK | IC50 | = | 355.0 | nM | 6.45 | Inhibition of TTK (unknown origin) by LanthaScreen assay | 26258521 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 495.0 | nM | 6.3 | Inhibition of JAK1 (unknown origin) by Z'-Lyte assay | 26258521 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26258521 | 10.1021/acs.jmedchem.5b00710 | NON-PROTEIN TARGET | 5 |
| 26258521 | 10.1021/acs.jmedchem.5b00710 | Tyrosine-protein kinase JAK3 | 1 |
| 26258521 | 10.1021/acs.jmedchem.5b00710 | Tyrosine-protein kinase JAK2 | 1 |
| 26258521 | 10.1021/acs.jmedchem.5b00710 | Tyrosine-protein kinase JAK1 | 1 |
| 26258521 | 10.1021/acs.jmedchem.5b00710 | Dual specificity protein kinase TTK | 1 |
Data from ChEMBL 36 via Core Engine