Compound Detail
CHEMBL389685
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Basic Information
| ChEMBL ID | CHEMBL389685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVXVYAKCVDQRLW-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
118.1
MW (Da)
1.56
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 3.41
Kd 2 meas. best 4.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxidized purine nucleoside triphosphate hydrolase CHEMBL3708265 | Kd | 4.02 | 4.02 | 96000.0 | 1 |
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 3.41 | 3.41 | 391000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxidized purine nucleoside triphosphate hydrolase | Kd | = | 96000.0 | nM | 4.02 | Binding affinity to recombinant His-tagged MTH1 (unknown origin) expressed in Es... | 31077996 |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 391000.0 | nM | 3.41 | Inhibition of Axl (unknown origin) using 5'FAM labeled KKKKEEIYFFF-NH2 peptide a... | 34600239 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00308F | Tyrosine-protein kinase ABL1 | 4 |
| 21699136 | 10.1021/jm200349b | Inhibitor of nuclear factor kappa-B kinase subunit beta | 3 |
| 21699136 | 10.1021/jm200349b | Mitogen-activated protein kinase 8 | 3 |
| 21699136 | 10.1021/jm200349b | RAC-alpha serine/threonine-protein kinase | 3 |
| 31077996 | 10.1016/j.ejmech.2019.04.037 | Oxidized purine nucleoside triphosphate hydrolase | 3 |
| - | 10.1039/C3MD00308F | Receptor-type tyrosine-protein kinase FLT3 | 2 |
| - | 10.1039/C3MD00308F | cGMP-dependent protein kinase 1 | 2 |
| - | 10.1039/C3MD00308F | Unchecked | 2 |
| - | 10.1039/C3MD00308F | Fibroblast growth factor receptor 2 | 2 |
| - | 10.1039/C3MD00308F | Protein kinase C beta type | 2 |
| 21699136 | 10.1021/jm200349b | Aurora kinase A | 1 |
| 35477274 | 10.1021/acs.jmedchem.2c00444 | ADMET | 1 |
| 21699136 | 10.1021/jm200349b | Epidermal growth factor receptor | 1 |
| 21699136 | 10.1021/jm200349b | Serine/threonine-protein kinase B-raf | 1 |
| 21699136 | 10.1021/jm200349b | Aurora kinase B | 1 |
| 21699136 | 10.1021/jm200349b | RAC-beta serine/threonine-protein kinase | 1 |
| 18345609 | 10.1021/jm701437d | RAC-beta serine/threonine-protein kinase | 1 |
| 17451235 | 10.1021/jm0700924 | PC-3M | 1 |
| 17451235 | 10.1021/jm0700924 | cAMP-dependent protein kinase (PKA) | 1 |
| 10508434 | 10.1021/jm990293a | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine