Compound Detail
CHEMBL5181291
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5181291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHVBSBGMXIFINH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
2.44
ALogP
6
HBA
3
HBD
128.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase CHEMBL3984 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
| Wee1-like protein kinase CHEMBL5491 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
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 | = | 53.0 | nM | 7.28 | Inhibition of N-terminal human recombinant PKMYT1 (76 to 362 residues) expressed... | 35880755 |
| Wee1-like protein kinase | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of WEE1 (unknown origin) | 35880755 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35880755 | 10.1021/acs.jmedchem.2c00552 | Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase | 1 |
| 35880755 | 10.1021/acs.jmedchem.2c00552 | Wee1-like protein kinase | 1 |
Data from ChEMBL 36 via Core Engine