Compound Detail
CHEMBL1288006
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Basic Information
| ChEMBL ID | CHEMBL1288006 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHIAZVHADWMRSJ-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
2.52
ALogP
6
HBA
1
HBD
69.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 6.08 | 5.69 | 830.0 | 2 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 5.82 | 5.56 | 1500.0 | 2 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 5.3 | 5.3 | 5000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | IC50 | = | 830.0 | nM | 6.08 | Inhibition of recombinant JNK1 after 60 mins by TR-FRET assay | 21071223 |
| Mitogen-activated protein kinase 10 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of recombinant JNK3 after 60 mins by TR-FRET assay | 21071223 |
| Mitogen-activated protein kinase 9 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of recombinant JNK2 after 60 mins by TR-FRET assay | 21071223 |
| Mitogen-activated protein kinase 10 | IC50 | = | 5050.0 | nM | 5.3 | HTRF Assay: (1) Assay buffer #1 with 0.0025% Tween and 1 mM DTT was prepared usi... | - |
| Mitogen-activated protein kinase 8 | IC50 | = | 5050.0 | nM | 5.3 | HTRF Assay: (1) Assay buffer #1 with 0.0025% Tween and 1 mM DTT was prepared usi... | - |
| Mitogen-activated protein kinase 9 | IC50 | = | 5050.0 | nM | 5.3 | HTRF Assay: (1) Assay buffer #1 with 0.0025% Tween and 1 mM DTT was prepared usi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21071223 | 10.1016/j.bmcl.2010.10.066 | Mitogen-activated protein kinase 8 | 1 |
| 21071223 | 10.1016/j.bmcl.2010.10.066 | Mitogen-activated protein kinase 9 | 1 |
| 21071223 | 10.1016/j.bmcl.2010.10.066 | Mitogen-activated protein kinase 10 | 1 |
| 21071223 | 10.1016/j.bmcl.2010.10.066 | ADMET | 1 |
| 21071223 | 10.1016/j.bmcl.2010.10.066 | Liver microsomes | 1 |
| 21071223 | 10.1016/j.bmcl.2010.10.066 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine