Compound Detail
CHEMBL2070446
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Basic Information
| ChEMBL ID | CHEMBL2070446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCQVNQRJUIBZRD-OQLLNIDSSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
258.4
MW (Da)
2.05
ALogP
3
HBA
2
HBD
49.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 4.71 | 4.67 | 19560.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 19560.0 | nM | 4.71 | Antiproliferative activity against p53-deficient human HCT116 cells after 72 hrs... | 22858101 |
| HCT-116 | IC50 | = | 23250.0 | nM | 4.63 | Antiproliferative activity against human HCT116 cells expressing p53 after 72 hr... | 22858101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22858101 | 10.1016/j.bmcl.2012.07.030 | HCT-116 | 2 |
| 22858101 | 10.1016/j.bmcl.2012.07.030 | SK-N-MC | 2 |
Data from ChEMBL 36 via Core Engine