Compound Detail
CHEMBL426811
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Basic Information
| ChEMBL ID | CHEMBL426811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GELSSERXHLOALO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
373.8
MW (Da)
3.20
ALogP
6
HBA
2
HBD
109.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.43
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| HeLa CHEMBL399 | EC50 | 4.43 | 4.43 | 37000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of Serine/threonine-protein kinase Chk1 | 15857116 |
| HeLa | EC50 | = | 37000.0 | nM | 4.43 | Anti-proliferative activity against HeLa cells in the presence of 150 nM of doxo... | 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