Compound Detail
CHEMBL569720
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Basic Information
| ChEMBL ID | CHEMBL569720 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCQUEYKYABNNDA-VIFPVBQESA-N |
6
Targets
6
Activities
2
Assay Types
4
PK Parameters
11
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
2.53
ALogP
8
HBA
3
HBD
128.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.06
EC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Signal transducer and activator of transcription 5B CHEMBL5817 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 7.06 | 7.06 | 87.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 6.07 | 6.07 | 850.0 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 5.83 | 5.83 | 1480.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 4.58 | 4.58 | 26480.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 13.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 2.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| T1/2 | 1.6 | hr | Rattus norvegicus |
| T1/2 | 7.0 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Signal transducer and activator of transcription 5B | EC50 | = | 40.0 | nM | 7.4 | Inhibition of erythropoietin-stimulated STAT5 expressed in human U2OS cells | 19857966 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 87.0 | nM | 7.06 | Inhibition of JAK2 using 5 mM ATP as a substrate | 19857966 |
| Cyclin-dependent kinase 2 | IC50 | = | 410.0 | nM | 6.39 | Inhibition of CDK2 | 19857966 |
| Aurora kinase B | IC50 | = | 850.0 | nM | 6.07 | Inhibition of Aurora B | 19857966 |
| High affinity nerve growth factor receptor | IC50 | = | 1480.0 | nM | 5.83 | Inhibition of TRKA | 19857966 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 26480.0 | nM | 4.58 | 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 |
| 19857966 | 10.1016/j.bmcl.2009.10.054 | Rattus norvegicus | 3 |
| 19857966 | 10.1016/j.bmcl.2009.10.054 | Canis familiaris | 3 |
| 19857966 | 10.1016/j.bmcl.2009.10.054 | Mus musculus | 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