Compound Detail
CHEMBL2113964
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Basic Information
| ChEMBL ID | CHEMBL2113964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWTODSLDHCDLDR-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
170.6
MW (Da)
2.34
ALogP
3
HBA
0
HBD
25.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 4.12 | 4.12 | 76000.0 | 1 |
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 3.52 | 3.52 | 302000.0 | 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 | = | 5200.0 | nM | 5.28 | Inhibition of N-terminal GST-tagged MNK2 (unknown origin) (72 to 385 residues) e... | 31910010 |
| Plasmodium falciparum | IC50 | = | 9400.0 | nM | 5.03 | OSM: Inhibition of Plasmodium falciparum 3D7 growth. IC50 values determined from... | - |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 76000.0 | nM | 4.12 | Inhibition of N-terminal GST-tagged MNK1 (unknown origin) (37 to 341 residues) e... | 31910010 |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 302000.0 | nM | 3.52 | Inhibition of Axl (unknown origin) using 5'FAM labeled KKKKEEIYFFF-NH2 peptide a... | 34600239 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL2113921 | Plasmodium falciparum | 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 |
| 34600239 | 10.1016/j.bmc.2021.116437 | Tyrosine-protein kinase receptor UFO | 1 |
Data from ChEMBL 36 via Core Engine