Compound Detail
CHEMBL4082278
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
C=CC(=O)Nc1cccc(C(=O)Nc2ccc(Nc3cc(-c4[nH]c(SC)nc4C)ccn3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL4082278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKUSJXDWGAHZNA-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
5.62
ALogP
6
HBA
4
HBD
111.8
PSA (Ų)
0.19
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 8.7 | 7.91 | 2.0 | 3 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 6.27 | 6.27 | 531.7 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 5.96 | 5.96 | 1108.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.71 | 5.71 | 1952.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of recombinant 6x-His-tagged JNK3 (39 to 402 residues) (unknown origi... | 27977190 |
| Mitogen-activated protein kinase 10 | IC50 | = | 2.0 | nM | 8.7 | Affinity Biochemical interaction: (Enzyme-linked immunosorbent assays (ELISA)) E... | - |
| Mitogen-activated protein kinase 10 | IC50 | = | 465.9 | nM | 6.33 | Cellular target engagement assay with: MAPK10 | - |
| Mitogen-activated protein kinase 9 | IC50 | = | 531.7 | nM | 6.27 | Cellular target engagement assay with: MAPK9 | - |
| Mitogen-activated protein kinase 8 | IC50 | = | 1108.0 | nM | 5.96 | Cellular target engagement assay with: MAPK8 | - |
| Mitogen-activated protein kinase 14 | IC50 | = | 1952.0 | nM | 5.71 | Inhibition of GST-His tagged human p38alpha expressed in Escherichia coli assess... | 27977190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4689842 | U2OS | 346 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 346 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 345 |
| - | 10.6019/CHEMBL5465560 | Epidermal growth factor receptor | 22 |
| - | 10.6019/CHEMBL5465560 | Proto-oncogene tyrosine-protein kinase receptor Ret | 20 |
| - | 10.6019/CHEMBL5465560 | Mast/stem cell growth factor receptor Kit | 20 |
| - | 10.6019/CHEMBL5465560 | Hepatocyte growth factor receptor | 20 |
| - | 10.6019/CHEMBL5465560 | Tyrosine-protein kinase ABL1 | 18 |
| - | 10.6019/CHEMBL5465560 | ALK tyrosine kinase receptor | 14 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5465560 | Fibroblast growth factor receptor 3 | 10 |
| - | 10.6019/CHEMBL5465560 | Angiopoietin-1 receptor | 8 |
| - | 10.6019/CHEMBL5465560 | Platelet-derived growth factor receptor alpha | 8 |
| - | 10.6019/CHEMBL5465560 | Leucine-rich repeat serine/threonine-protein kinase 2 | 8 |
| - | 10.6019/CHEMBL5465560 | Receptor-type tyrosine-protein kinase FLT3 | 6 |
| - | 10.6019/CHEMBL5465560 | Discoidin domain-containing receptor 2 | 6 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.6019/CHEMBL5465560 | CDK12/Cyclin K | 4 |
| - | 10.6019/CHEMBL5465560 | Insulin receptor | 4 |
Data from ChEMBL 36 via Core Engine