Compound Detail
CHEMBL2312761
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Basic Information
| ChEMBL ID | CHEMBL2312761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMBNIQURJGKZFZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
4.38
ALogP
7
HBA
2
HBD
102.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 4.7 | 4.7 | 20010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 20010.0 | nM | 4.7 | Cytotoxicity against human HCT116 cells after 7 days by crystal violet staining ... | 23177257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23177257 | 10.1016/j.bmcl.2012.10.130 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
| 23177257 | 10.1016/j.bmcl.2012.10.130 | Radical scavenging activity | 1 |
| 23177257 | 10.1016/j.bmcl.2012.10.130 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine