Compound Detail
CHEMBL5174072
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Basic Information
| ChEMBL ID | CHEMBL5174072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEYFYHAQSNSXRD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.8
MW (Da)
2.99
ALogP
5
HBA
3
HBD
107.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase CHEMBL3984 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 731.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 24.0 | % | Rattus norvegicus |
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 | = | 7.0 | nM | 8.15 | 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 | ADMET | 3 |
| 35880755 | 10.1021/acs.jmedchem.2c00552 | Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase | 1 |
Data from ChEMBL 36 via Core Engine