Compound Detail
CHEMBL1163003
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Basic Information
| ChEMBL ID | CHEMBL1163003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWHLRZCYFACRDS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
397.2
MW (Da)
4.88
ALogP
3
HBA
3
HBD
82.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.64 | 7.64 | 23.0 | 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 human Wee1 (215-647) expressed in baculovirus | 17698256 |
| Unchecked | IC50 | = | 23.01 | nM | 7.64 | Inhibition of human Wee1 (215-647) expressed in baculovirus | 17698256 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17698256 | 10.1016/j.ejmech.2007.06.021 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine