Compound Detail
CHEMBL4097277
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Basic Information
| ChEMBL ID | CHEMBL4097277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMSLMZWTRAVYAS-VMPITWQZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
328.3
MW (Da)
3.00
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 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 | 3697.0 | 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 | = | 3697.0 | nM | 5.43 | Inhibition of N-terminal GST-tagged recombinant human full length MNK2 expressed... | 33026809 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33026809 | 10.1021/acs.jnatprod.0c00516 | MAP kinase-interacting serine/threonine-protein kinase 2 | 2 |
| 28214231 | 10.1016/j.bmc.2017.01.049 | Huh-7 | 1 |
| 28214231 | 10.1016/j.bmc.2017.01.049 | Caco-2 | 1 |
| 28214231 | 10.1016/j.bmc.2017.01.049 | MDA-MB-231 | 1 |
| 28214231 | 10.1016/j.bmc.2017.01.049 | HCT-116 | 1 |
| 28214231 | 10.1016/j.bmc.2017.01.049 | PC-3 | 1 |
| 28214231 | 10.1016/j.bmc.2017.01.049 | NCI-H727 | 1 |
| 28214231 | 10.1016/j.bmc.2017.01.049 | HaCaT | 1 |
| 28214231 | 10.1016/j.bmc.2017.01.049 | Fibroblast | 1 |
Data from ChEMBL 36 via Core Engine