Compound Detail
CHEMBL213451
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Basic Information
| ChEMBL ID | CHEMBL213451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWELIULLJBIPIQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
323.3
MW (Da)
3.62
ALogP
6
HBA
1
HBD
68.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.12 | 8.12 | 7.6 | 1 |
| Monocyte CHEMBL614076 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.06 | 6.06 | 865.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 7.6 | nM | 8.12 | Inhibition of p38alpha | 16759861 |
| Monocyte | IC50 | = | 52.0 | nM | 7.28 | Inhibition of LPS-induced TNFalpha production in human monocytes | 16759861 |
| Homo sapiens | IC50 | = | 865.0 | nM | 6.06 | Inhibition of LPS-induced TNFalpha production in human whole blood | 16759861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759861 | 10.1016/j.bmcl.2006.05.056 | Unchecked | 3 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | Serine/threonine-protein kinase Sgk1 | 1 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | Mitogen-activated protein kinase 14 | 1 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | Mitogen-activated protein kinase 1 | 1 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | c-Jun N-terminal kinase, JNK | 1 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | Ribosomal protein S6 kinase alpha-1 | 1 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | MAP kinase-activated protein kinase 2 | 1 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | Ribosomal protein S6 kinase alpha-5 | 1 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | MAP kinase-activated protein kinase 5 | 1 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | Protein kinase C alpha type | 1 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | 3-phosphoinositide-dependent protein kinase 1 | 1 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | RAC-alpha serine/threonine-protein kinase | 1 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | Ribosomal protein S6 kinase (P70S6K) | 1 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | Glycogen synthase kinase-3 beta | 1 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | Rho-associated protein kinase 2 | 1 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | AMP-activated protein kinase, AMPK | 1 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | Serine/threonine-protein kinase Chk1 | 1 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | Tyrosine-protein kinase Lck | 1 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | Tyrosine-protein kinase CSK | 1 |
| 16759861 | 10.1016/j.bmcl.2006.05.056 | Cyclin-dependent kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine