Compound Detail
CHEMBL1822145
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1822145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXUPRVNNKMSBLZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
5
PK Parameters
11
Publications
0
Known Names
Molecular Properties
466.3
MW (Da)
3.53
ALogP
6
HBA
2
HBD
92.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 160.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 266240.17 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 22.52 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 40.0 | % | Rattus norvegicus |
| T1/2 | 0.03833 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated fo... | 21813278 |
| Mitogen-activated protein kinase 10 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of recombinant JNK3 using ser73 of c-jun as substrate preincubated fo... | 21813278 |
| Mitogen-activated protein kinase 9 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of recombinant JNK2 using ser73 of c-jun as substrate preincubated fo... | 21813278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21813278 | 10.1016/j.bmcl.2011.06.100 | Rattus norvegicus | 4 |
| 21813278 | 10.1016/j.bmcl.2011.06.100 | Liver microsomes | 2 |
| 21813278 | 10.1016/j.bmcl.2011.06.100 | ADMET | 2 |
| 21813278 | 10.1016/j.bmcl.2011.06.100 | Mitogen-activated protein kinase 10 | 1 |
| 21813278 | 10.1016/j.bmcl.2011.06.100 | Mitogen-activated protein kinase 8 | 1 |
| 21813278 | 10.1016/j.bmcl.2011.06.100 | Mitogen-activated protein kinase 9 | 1 |
| 21813278 | 10.1016/j.bmcl.2011.06.100 | Liver | 1 |
| 21813278 | 10.1016/j.bmcl.2011.06.100 | Mitogen-activated protein kinase 14 | 1 |
| 21813278 | 10.1016/j.bmcl.2011.06.100 | Mitogen-activated protein kinase 1 | 1 |
| 21813278 | 10.1016/j.bmcl.2011.06.100 | Brain | 1 |
| 21813278 | 10.1016/j.bmcl.2011.06.100 | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine