Compound Detail
CHEMBL5176413
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Basic Information
| ChEMBL ID | CHEMBL5176413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDCSWWJXFFDHMR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
4.14
ALogP
6
HBA
3
HBD
120.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase CHEMBL3984 | IC50 | 8.1 | 7.04 | 8.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase | IC50 | = | 8.0 | nM | 8.1 | Inhibition of N-terminal human recombinant PKMYT1 (76 to 362 residues) expressed... | 35880755 |
| Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase | IC50 | = | 1050.0 | nM | 5.98 | Inhibition of N-terminal recombinant PKMYT1 (76 to 362 residues) in CCNE1 amplif... | 35880755 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35880755 | 10.1021/acs.jmedchem.2c00552 | Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase | 2 |
Data from ChEMBL 36 via Core Engine