Compound Detail
CHEMBL609813
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Basic Information
| ChEMBL ID | CHEMBL609813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGTKBMUJIXHQHA-PUXKXDTASA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
294.3
MW (Da)
-1.77
ALogP
9
HBA
5
HBD
144.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.14 | 5.14 | 7300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 7300.0 | nM | 5.14 | Cytotoxicity that caused a 50% reduction in absorbance at 490 nm in human prosta... | 11020285 |
| NON-PROTEIN TARGET | EC50 | = | 7300.0 | nM | 5.14 | Cytotoxicity that caused a 50% reduction in absorbance at 490 nm in normal human... | 11020285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11020285 | 10.1021/jm000073t | NON-PROTEIN TARGET | 2 |
| 11020285 | 10.1021/jm000073t | B16 | 1 |
Data from ChEMBL 36 via Core Engine