Compound Detail
CHEMBL441811
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Basic Information
| ChEMBL ID | CHEMBL441811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIGHOCFNNZKRLV-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
435.6
MW (Da)
5.37
ALogP
5
HBA
0
HBD
61.7
PSA (Ų)
0.23
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase p38 CHEMBL2094115 | IC50 | 5.64 | 5.4767 | 2300.0 | 3 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 4.54 | 4.54 | 28500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase p38 | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of p38 MAP kinase related interleukin (IL1-beta (cytokine) release fr... | 12061876 |
| MAP kinase p38 | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of p38 MAP kinase related TNF-alpha release from peripheral blood mon... | 12061876 |
| MAP kinase p38 | IC50 | = | 5100.0 | nM | 5.29 | Inhibition of Mitogen-activated protein kinase p38 | 12061876 |
| Mitogen-activated protein kinase 14 | IC50 | = | 5100.0 | nM | 5.29 | Inhibition of p38-alpha MAPK by non-radioactive immunosorbent assay | 17323937 |
| Mitogen-activated protein kinase 10 | IC50 | = | 28500.0 | nM | 4.54 | Inhibition of JNK3 by non-radioactive immunosorbent assay | 17323937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12061876 | 10.1021/jm011098a | MAP kinase p38 | 5 |
| 17323937 | 10.1021/jm061097o | Mitogen-activated protein kinase 14 | 1 |
| 17323937 | 10.1021/jm061097o | Mitogen-activated protein kinase 10 | 1 |
Data from ChEMBL 36 via Core Engine