Compound Detail
CHEMBL570002
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Basic Information
| ChEMBL ID | CHEMBL570002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIRRYRRDDTYFPP-VIFPVBQESA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
339.3
MW (Da)
2.23
ALogP
8
HBA
3
HBD
128.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.22
EC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Signal transducer and activator of transcription 5B CHEMBL5817 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 5.84 | 5.84 | 1440.0 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 5.74 | 5.74 | 1840.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 5.3 | 5.3 | 5030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of JAK2 using 5 mM ATP as a substrate | 19857966 |
| Signal transducer and activator of transcription 5B | EC50 | = | 40.0 | nM | 7.4 | Inhibition of erythropoietin-stimulated STAT5 expressed in human U2OS cells | 19857966 |
| Cyclin-dependent kinase 2 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of CDK2 | 19857966 |
| High affinity nerve growth factor receptor | IC50 | = | 1440.0 | nM | 5.84 | Inhibition of TRKA | 19857966 |
| Aurora kinase B | IC50 | = | 1840.0 | nM | 5.74 | Inhibition of Aurora B | 19857966 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 5030.0 | nM | 5.3 | Inhibition of JAK3 using 5 mM ATP as a substrate | 19857966 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19857966 | 10.1016/j.bmcl.2009.10.054 | Tyrosine-protein kinase JAK2 | 3 |
| - | 10.6019/CHEMBL3301361 | ADMET | 3 |
| 19857966 | 10.1016/j.bmcl.2009.10.054 | Tyrosine-protein kinase JAK3 | 2 |
| 19857966 | 10.1016/j.bmcl.2009.10.054 | Signal transducer and activator of transcription 5B | 1 |
| 19857966 | 10.1016/j.bmcl.2009.10.054 | Cyclin-dependent kinase 2 | 1 |
| 19857966 | 10.1016/j.bmcl.2009.10.054 | Aurora kinase B | 1 |
| 19857966 | 10.1016/j.bmcl.2009.10.054 | High affinity nerve growth factor receptor | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine