Compound Detail
CHEMBL265446
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Basic Information
| ChEMBL ID | CHEMBL265446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHXIUVYOWSHFDL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
1.45
ALogP
3
HBA
3
HBD
91.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.07 | 5.07 | 8540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 24.0 | nM | 7.62 | Inhibition of human Chk1 | 18321713 |
| HT-29 | IC50 | = | 580.0 | nM | 6.24 | Cytotoxicity against human HT29 cells after 4 hrs by microculture tetrazolium as... | 18321713 |
| HCT-116 | IC50 | = | 8540.0 | nM | 5.07 | Cytotoxicity against human HCT116 cells after 4 hrs by microculture tetrazolium ... | 18321713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18321713 | 10.1016/j.bmc.2008.02.061 | Serine/threonine-protein kinase Chk1 | 2 |
| 18321713 | 10.1016/j.bmc.2008.02.061 | L1210 | 1 |
| 18321713 | 10.1016/j.bmc.2008.02.061 | HCT-116 | 1 |
| 18321713 | 10.1016/j.bmc.2008.02.061 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine