Compound Detail
CHEMBL1684764
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Basic Information
| ChEMBL ID | CHEMBL1684764 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMNGQYYCAIINOT-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
5.69
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.45
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.72
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEp-2 | IC50 | = | 190.0 | nM | 6.72 | Cytotoxicity against Homo sapiens (human) Hep2 cells after 48 hr by SRB assay | - |
| PC-3 | IC50 | = | 210.0 | nM | 6.68 | Cytotoxicity against Homo sapiens (human) PC3 cells after 48 hr by SRB assay | - |
| OVCAR | IC50 | = | 250.0 | nM | 6.6 | Cytotoxicity against Homo sapiens (human) OVCAR cells after 48 hr by SRB assay | - |
| IMR-32 | IC50 | = | 270.0 | nM | 6.57 | Cytotoxicity against Homo sapiens (human) IMR32 cells after 48 hr by SRB assay | - |
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