Compound Detail
CHEMBL1822139
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Basic Information
| ChEMBL ID | CHEMBL1822139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZGXJNUHZVCAOW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
379.4
MW (Da)
1.72
ALogP
7
HBA
2
HBD
127.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated fo... | 21813278 |
| Mitogen-activated protein kinase 10 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of recombinant JNK3 using ser73 of c-jun as substrate preincubated fo... | 21813278 |
| Mitogen-activated protein kinase 9 | IC50 | = | 18.0 | nM | 7.75 | 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 | Liver microsomes | 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 |
Data from ChEMBL 36 via Core Engine