Compound Detail
CHEMBL193117
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Basic Information
| ChEMBL ID | CHEMBL193117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTQRLVNDANHFDI-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
386.8
MW (Da)
3.12
ALogP
6
HBA
2
HBD
103.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.0
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| HeLa CHEMBL399 | EC50 | 5.0 | 4.99 | 10000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of Serine/threonine-protein kinase Chk1 | 15857116 |
| HeLa | EC50 | = | 10000.0 | nM | 5.0 | Anti-proliferative activity against HeLa cells in the presence of 150 nM of doxo... | 15857116 |
| HeLa | EC50 | = | 10400.0 | nM | 4.98 | Anti-proliferative activity against HeLa cells | 15857116 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15857116 | 10.1021/jm048989d | HeLa | 3 |
| 15857116 | 10.1021/jm048989d | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine