Compound Detail
CHEMBL3105162
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NCCOCCOCCOCCOCCOCCOCC#Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL3105162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWBODXDUVGMADS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
684.8
MW (Da)
2.22
ALogP
11
HBA
3
HBD
169.6
PSA (Ų)
0.09
QED
2
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 5800.0 | nM | 5.24 | Cytotoxicity against human RCC4 cells after 4 days by XTT assay | 24387866 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24387866 | 10.1016/j.bmc.2013.12.028 | NON-PROTEIN TARGET | 2 |
| 24387866 | 10.1016/j.bmc.2013.12.028 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine