Compound Detail
CHEMBL2417793
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O=c1c(NCCCCCCS(=O)(=O)N(OCCN2CCOCC2)C2CCCCC2)c(Nc2ccncc2)c1=O
Basic Information
| ChEMBL ID | CHEMBL2417793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBCUUPBKHAUQNH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
563.7
MW (Da)
2.62
ALogP
10
HBA
2
HBD
130.2
PSA (Ų)
0.18
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 10.52 | 10.52 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 0.03 | nM | 10.52 | Cytotoxicity against human A2780 cells after 72 hrs by WST-1 assay | 23679915 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23679915 | 10.1021/jm4001049 | A2780 | 1 |
Data from ChEMBL 36 via Core Engine