Compound Detail
CHEMBL1684758
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1684758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGAQAQGBKKRHFM-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
4.55
ALogP
4
HBA
0
HBD
51.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEp-2 CHEMBL614735 | IC50 | 5.99 | 5.99 | 1030.0 | 1 |
| IMR-32 CHEMBL614585 | IC50 | 5.78 | 5.78 | 1680.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.7 | 5.7 | 2010.0 | 1 |
| OVCAR CHEMBL614212 | IC50 | 5.57 | 5.57 | 2690.0 | 1 |
| Xanthine dehydrogenase/oxidase CHEMBL3649 | IC50 | 4.34 | 4.34 | 45600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEp-2 | IC50 | = | 1030.0 | nM | 5.99 | Cytotoxicity against Homo sapiens (human) Hep2 cells after 48 hr by SRB assay | - |
| IMR-32 | IC50 | = | 1680.0 | nM | 5.78 | Cytotoxicity against Homo sapiens (human) IMR32 cells after 48 hr by SRB assay | - |
| PC-3 | IC50 | = | 2010.0 | nM | 5.7 | Cytotoxicity against Homo sapiens (human) PC3 cells after 48 hr by SRB assay | - |
| OVCAR | IC50 | = | 2690.0 | nM | 5.57 | Cytotoxicity against Homo sapiens (human) OVCAR cells after 48 hr by SRB assay | - |
| Xanthine dehydrogenase/oxidase | IC50 | = | 45600.0 | nM | 4.34 | Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid producti... | 21353569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21353569 | 10.1016/j.bmc.2011.01.058 | Xanthine dehydrogenase/oxidase | 1 |
| - | 10.1007/s00044-011-9824-9 | HEp-2 | 1 |
| - | 10.1007/s00044-011-9824-9 | IMR-32 | 1 |
| - | 10.1007/s00044-011-9824-9 | OVCAR | 1 |
| - | 10.1007/s00044-011-9824-9 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine