Compound Detail
CHEMBL417804
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Basic Information
| ChEMBL ID | CHEMBL417804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGWJYCCSHANDCO-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
4.87
ALogP
7
HBA
1
HBD
74.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.6 | 7.6 | 25.0 | 4 |
| Mitogen-activated protein kinase 11 CHEMBL3961 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Bromodomain testis-specific protein CHEMBL1795185 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 25.0 | nM | 7.6 | Inhibitory concentration against mitogen-activated protein kinase p38 alpha | 11354358 |
| Mitogen-activated protein kinase 14 | IC50 | = | 25.12 | nM | 7.6 | Inhibition of p38alpha | 17706839 |
| Mitogen-activated protein kinase 14 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of p38alpha | 17706839 |
| Mitogen-activated protein kinase 14 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of P38alphaMAPK (unknown origin) | 27559828 |
| Mitogen-activated protein kinase 11 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of P38betaMAPK (unknown origin) | 27559828 |
| Bromodomain testis-specific protein | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of human recombinant BRDT | 27559828 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL1961873 | Tyrosine-protein kinase ABL1 | 14 |
| - | 10.6019/CHEMBL1961873 | Epidermal growth factor receptor | 10 |
| - | 10.6019/CHEMBL1961873 | Mast/stem cell growth factor receptor Kit | 8 |
| - | 10.6019/CHEMBL1961873 | Platelet-derived growth factor receptor alpha | 8 |
| - | 10.6019/CHEMBL1961873 | Proto-oncogene tyrosine-protein kinase receptor Ret | 6 |
| - | 10.6019/CHEMBL1961873 | Cyclin-dependent kinase 2 | 4 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase B-raf | 4 |
| - | 10.6019/CHEMBL1961873 | Receptor-type tyrosine-protein kinase FLT3 | 4 |
| - | 10.6019/CHEMBL1961873 | Leucine-rich repeat serine/threonine-protein kinase 2 | 4 |
| - | 10.6019/CHEMBL1961873 | Tyrosine-protein kinase Lyn | 4 |
| - | 10.6019/CHEMBL1961873 | Protein kinase C beta type | 4 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase D2 | 2 |
| - | 10.6019/CHEMBL1961873 | RAC-alpha serine/threonine-protein kinase | 2 |
| - | 10.6019/CHEMBL1961873 | Protein kinase C alpha type | 2 |
| - | 10.6019/CHEMBL1961873 | cAMP-dependent protein kinase catalytic subunit alpha | 2 |
| - | 10.6019/CHEMBL1961873 | Ribosomal protein S6 kinase beta-1 | 2 |
| - | 10.6019/CHEMBL1961873 | Ribosomal protein S6 kinase alpha-5 | 2 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase MRCK beta | 2 |
| - | 10.6019/CHEMBL1961873 | Rhodopsin kinase GRK7 | 2 |
| - | 10.6019/CHEMBL1961873 | G protein-coupled receptor kinase 6 | 2 |
Data from ChEMBL 36 via Core Engine