Compound Detail
CHEMBL2070445
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Basic Information
| ChEMBL ID | CHEMBL2070445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXIRNPCYDNGXFI-OVCLIPMQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
1.76
ALogP
4
HBA
3
HBD
69.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 5.58 | 5.54 | 2620.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 2620.0 | nM | 5.58 | Antiproliferative activity against human HCT116 cells expressing p53 after 72 hr... | 22858101 |
| HCT-116 | IC50 | = | 3150.0 | nM | 5.5 | Antiproliferative activity against p53-deficient human HCT116 cells after 72 hrs... | 22858101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22858101 | 10.1016/j.bmcl.2012.07.030 | SK-N-MC | 3 |
| 22858101 | 10.1016/j.bmcl.2012.07.030 | HCT-116 | 2 |
| 22858101 | 10.1016/j.bmcl.2012.07.030 | NHDF | 1 |
Data from ChEMBL 36 via Core Engine