Compound Detail
CHEMBL1822313
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CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)NCCCNC(=O)c1ccc(-c2n[nH]c3ccccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL1822313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWJUZLSGAKAFBY-JNRUXRNVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1091.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 9.15 | 9.1 | 0.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 8 | IC50 | = | 0.7 | nM | 9.15 | Inhibition of JNK1 using ATF2 substrate by TR-FRET assay | 21815634 |
| Mitogen-activated protein kinase 8 | IC50 | = | 0.9 | nM | 9.05 | Displacement of biotin-RPKRPTTLNLF from GST tagged JNK1 using ATF2 substrate by ... | 21815634 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21815634 | 10.1021/jm200479c | Mitogen-activated protein kinase 8 | 2 |
Data from ChEMBL 36 via Core Engine