Compound Detail
CHEMBL3968288
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Basic Information
| ChEMBL ID | CHEMBL3968288 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIAGSBGKNHDSBD-VQHVLOKHSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
2.91
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.8 | 5.47 | 1600.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1600.0 | nM | 5.8 | Antiproliferative activity against human HeLa cells after 48 hrs by MTT assay | 27979593 |
| NON-PROTEIN TARGET | IC50 | = | 2000.0 | nM | 5.7 | Antiproliferative activity against human DU145 cells after 48 hrs by MTT assay | 27979593 |
| NON-PROTEIN TARGET | IC50 | = | 5900.0 | nM | 5.23 | Antiproliferative activity against human ECA109 cells after 48 hrs by MTT assay | 27979593 |
| NON-PROTEIN TARGET | IC50 | = | 7100.0 | nM | 5.15 | Antiproliferative activity against human MCF7 cells after 48 hrs by MTT assay | 27979593 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27979593 | 10.1016/j.bmcl.2016.12.007 | NON-PROTEIN TARGET | 4 |
Data from ChEMBL 36 via Core Engine