Compound Detail
CHEMBL3356795
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Basic Information
| ChEMBL ID | CHEMBL3356795 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJEFIRXCTLAIQK-XXBNENTESA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
4.12
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 9.52 | 9.24 | 0.3 | 2 |
| A-375 CHEMBL613859 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| A549 CHEMBL392 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-375 | IC50 | = | 0.3 | nM | 9.52 | Antiproliferative activity against human A375 cells after 72 hrs by ATPlite assa... | 25499434 |
| NON-PROTEIN TARGET | IC50 | = | 0.3 | nM | 9.52 | Antiproliferative activity against human HCT116 cells after 72 hrs by ATPlite as... | 25499434 |
| NON-PROTEIN TARGET | IC50 | = | 1.1 | nM | 8.96 | Antiproliferative activity against human NAMALWA cells after 72 hrs by ATPlite a... | 25499434 |
| A549 | IC50 | = | 1.4 | nM | 8.85 | Antiproliferative activity against human A549 cells after 72 hrs by ATPlite assa... | 25499434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25499434 | 10.1016/j.bmcl.2014.11.086 | NON-PROTEIN TARGET | 2 |
| 25499434 | 10.1016/j.bmcl.2014.11.086 | A549 | 1 |
| 25499434 | 10.1016/j.bmcl.2014.11.086 | A-375 | 1 |
Data from ChEMBL 36 via Core Engine