Compound Detail
CHEMBL181095
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Basic Information
| ChEMBL ID | CHEMBL181095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJIVPJOEDIEVGM-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
5.08
ALogP
7
HBA
1
HBD
72.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Wee1-like protein kinase CHEMBL5491 | IC50 | 6.0 | 6.0 | 990.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 23.0 | nM | 7.64 | Inhibition of c-Src tyrosine kinase | 15780636 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 23.0 | nM | 7.64 | Inhibition of c-Src (unknown origin) | 32688199 |
| Wee1-like protein kinase | IC50 | = | 990.0 | nM | 6.0 | Inhibition of checkpoint kinase Wee1 | 15780636 |
| Wee1-like protein kinase | IC50 | = | 990.0 | nM | 6.0 | Inhibition of Wee1 (unknown origin) | 32688199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15780636 | 10.1016/j.bmcl.2005.01.079 | Wee1-like protein kinase | 1 |
| 15780636 | 10.1016/j.bmcl.2005.01.079 | Unchecked | 1 |
| 32688199 | 10.1016/j.ejmech.2020.112524 | Wee1-like protein kinase | 1 |
| 32688199 | 10.1016/j.ejmech.2020.112524 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine