Compound Detail
CHEMBL203059
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Basic Information
| ChEMBL ID | CHEMBL203059 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBHOUOHFUVTLFG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
4.25
ALogP
5
HBA
2
HBD
76.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 6.91 | 6.91 | 122.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.6 | 6.6 | 251.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 12.59 | mL.min-1.g-1 | Homo sapiens |
| CL | 16.22 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| CL | 150.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of JNK3 | 16337120 |
| Mitogen-activated protein kinase 8 | IC50 | = | 122.0 | nM | 6.91 | Inhibition of JNK1 | 16337120 |
| Mitogen-activated protein kinase 14 | IC50 | = | 251.0 | nM | 6.6 | Inhibition of p38alpha | 16337120 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | ADMET | 3 |
| 16337120 | 10.1016/j.bmcl.2005.11.039 | Mitogen-activated protein kinase 10 | 1 |
| 16337120 | 10.1016/j.bmcl.2005.11.039 | Mitogen-activated protein kinase 8 | 1 |
| 16337120 | 10.1016/j.bmcl.2005.11.039 | Mitogen-activated protein kinase 14 | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine