Compound Detail
CHEMBL1409708
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Basic Information
| ChEMBL ID | CHEMBL1409708 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APQCIRNWAACMSD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
11
PK Parameters
14
Publications
0
Known Names
Molecular Properties
236.3
MW (Da)
1.04
ALogP
5
HBA
2
HBD
85.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 8/19 CHEMBL3885556 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
| CDK8/CDK19 CHEMBL4888455 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 9400.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 870.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 45.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 39.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 3.0 | mL.min-1.g-1 | Homo sapiens |
| Cmax | 23656.37 | nM | Rattus norvegicus |
| F | 97.0 | % | Rattus norvegicus |
| T1/2 | 0.78 | hr | Rattus norvegicus |
| T1/2 | 0.33 | hr | Rattus norvegicus |
| Vd | 3.1 | L.kg-1 | Rattus norvegicus |
| Vd | 1.1 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDK8/CDK19 | EC50 | = | 1200.0 | nM | 5.92 | Inhibition of CDK8/CDK19 assessed as rescue of proliferation of RPS19-deficient ... | - |
| Cyclin-dependent kinase 8/19 | EC50 | = | 1200.0 | nM | 5.92 | The CDK8/CDK19 Inhibitor DBA-8 Rescues Proliferation of RPS19-Deficient Erythroi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23453217 | 10.1016/j.bmc.2013.01.071 | Rattus norvegicus | 14 |
| 31101474 | 10.1016/j.bmcl.2019.05.014 | Cytochrome P450 3A4 | 2 |
| 23453217 | 10.1016/j.bmc.2013.01.071 | Liver microsomes | 1 |
| 23453217 | 10.1016/j.bmc.2013.01.071 | Unchecked | 1 |
| - | 10.1039/C1MD00137J | LIM domain kinase 1 | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 31101474 | 10.1016/j.bmcl.2019.05.014 | Alkaline phosphatase, tissue-nonspecific isozyme | 1 |
| 31101474 | 10.1016/j.bmcl.2019.05.014 | Cytochrome P450 1A2 | 1 |
| 31101474 | 10.1016/j.bmcl.2019.05.014 | Cytochrome P450 2C9 | 1 |
| 31101474 | 10.1016/j.bmcl.2019.05.014 | Cytochrome P450 2C19 | 1 |
| 31101474 | 10.1016/j.bmcl.2019.05.014 | Cytochrome P450 2D6 | 1 |
| 34742889 | 10.1016/j.bmcl.2021.128440 | Unchecked | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine