Compound Detail
CHEMBL4515200
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Basic Information
| ChEMBL ID | CHEMBL4515200 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGGGINYTBTWPHC-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
2.50
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.41 | 5.12 | 3900.0 | 2 |
| No relevant target CHEMBL2362975 | IC50 | 4.76 | 4.76 | 17330.0 | 1 |
| RCC4 CHEMBL4483279 | IC50 | 4.37 | 4.37 | 42800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3900.0 | nM | 5.41 | Cytotoxicity against VHL-positive human RCC10 cells assessed as reduction in cel... | 31260889 |
| Unchecked | IC50 | = | 14800.0 | nM | 4.83 | Cytotoxicity against VHL-deficient human RCC10 cells assessed as reduction in ce... | 31260889 |
| No relevant target | IC50 | = | 17330.0 | nM | 4.76 | Antioxidant activity assessed as DPPH radical scavenging activity incubated for ... | 31260889 |
| RCC4 | IC50 | = | 42800.0 | nM | 4.37 | Cytotoxicity against VHL-deficient human RCC4 cells assessed as reduction in cel... | 31260889 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31260889 | 10.1016/j.ejmech.2019.06.060 | Unchecked | 2 |
| 31260889 | 10.1016/j.ejmech.2019.06.060 | 786-0 | 2 |
| 31260889 | 10.1016/j.ejmech.2019.06.060 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 31260889 | 10.1016/j.ejmech.2019.06.060 | No relevant target | 1 |
| 31260889 | 10.1016/j.ejmech.2019.06.060 | RCC4 | 1 |
| 31260889 | 10.1016/j.ejmech.2019.06.060 | RCC4/VHL | 1 |
Data from ChEMBL 36 via Core Engine