Compound Detail
CHEMBL275339
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Basic Information
| ChEMBL ID | CHEMBL275339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYKCUAPYWQDIKR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
160.2
MW (Da)
1.58
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Autotaxin CHEMBL3691 | IC50 | 3.3 | 3.3 | 501187.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of N-terminal GST-tagged MNK2 (unknown origin) (72 to 385 residues) e... | 31910010 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of N-terminal GST-tagged MNK1 (unknown origin) (37 to 341 residues) e... | 31910010 |
| Autotaxin | IC50 | = | 501187.23 | nM | 3.3 | Inhibition of full length human C-terminal 6-His-tagged ATXbeta using FS-3 as su... | 28564542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 4020834 | 10.1021/jm00146a028 | Epoxide hydrolase 1 | 2 |
| 4020834 | 10.1021/jm00146a028 | Unchecked | 1 |
| 4020834 | 10.1021/jm00146a028 | No relevant target | 1 |
| 24157367 | 10.1016/j.bmcl.2013.09.101 | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 28564542 | 10.1021/acs.jmedchem.6b01224 | Autotaxin | 1 |
| 31910010 | 10.1021/acs.jmedchem.9b01582 | MAP kinase-interacting serine/threonine-protein kinase 1 | 1 |
| 31910010 | 10.1021/acs.jmedchem.9b01582 | MAP kinase-interacting serine/threonine-protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine