Compound Detail
CHEMBL242398
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Basic Information
| ChEMBL ID | CHEMBL242398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AURNOCORGLXLBS-FMIVXFBMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
3.88
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.99 | 4.99 | 10300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 10300.0 | nM | 4.99 | Cytotoxicity against mouse Hepa-1c1c7 cells after 24 hrs by MTT assay | 21215623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17316918 | 10.1016/j.ejmech.2006.12.012 | Unchecked | 2 |
| 17316918 | 10.1016/j.ejmech.2006.12.012 | NON-PROTEIN TARGET | 1 |
| 21215623 | 10.1016/j.bmcl.2010.12.029 | NON-PROTEIN TARGET | 1 |
| 21215623 | 10.1016/j.bmcl.2010.12.029 | NAD(P)H dehydrogenase [quinone] 1 | 1 |
Data from ChEMBL 36 via Core Engine