Compound Detail
CHEMBL4793971
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Basic Information
| ChEMBL ID | CHEMBL4793971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVKICFJXJPDNOJ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
2.21
ALogP
8
HBA
4
HBD
113.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 7.3 | 7.3 | 49.8 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 7.26 | 7.26 | 55.2 | 1 |
| TMD8 CHEMBL4296503 | IC50 | 4.96 | 4.96 | 10970.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 4.73 | 4.73 | 18490.0 | 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 | = | 49.8 | nM | 7.3 | Inhibition of recombinant human N-terminal GST-tagged MNK2 (1 to 465 residues) e... | 30824167 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 55.2 | nM | 7.26 | Inhibition of recombinant human N-terminal DYKDDDDK-tagged MNK1(1 to 424 residue... | 30824167 |
| TMD8 | IC50 | = | 10970.0 | nM | 4.96 | Antiproliferative activity against human TMD8 cells assessed as reduction in cel... | 30824167 |
| MV4-11 | IC50 | = | 18490.0 | nM | 4.73 | Antiproliferative activity against human MV4-11 cells assessed as reduction in c... | 30824167 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30824167 | 10.1016/j.bmc.2019.02.007 | MAP kinase-interacting serine/threonine-protein kinase 2 | 2 |
| 30824167 | 10.1016/j.bmc.2019.02.007 | MAP kinase-interacting serine/threonine-protein kinase 1 | 2 |
| 30824167 | 10.1016/j.bmc.2019.02.007 | Unchecked | 1 |
| 30824167 | 10.1016/j.bmc.2019.02.007 | MDA-MB-435 | 1 |
| 30824167 | 10.1016/j.bmc.2019.02.007 | HCT-116 | 1 |
| 30824167 | 10.1016/j.bmc.2019.02.007 | A549 | 1 |
| 30824167 | 10.1016/j.bmc.2019.02.007 | TMD8 | 1 |
| 30824167 | 10.1016/j.bmc.2019.02.007 | K562 | 1 |
| 30824167 | 10.1016/j.bmc.2019.02.007 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine