Compound Detail
CHEMBL2112131
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Basic Information
| ChEMBL ID | CHEMBL2112131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUYGVJKFSTVOOC-DJLDLDEBSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
278.3
MW (Da)
-0.99
ALogP
8
HBA
3
HBD
123.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.41 | 5.355 | 3900.0 | 2 |
| B16 CHEMBL381 | EC50 | 4.95 | 4.95 | 11300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 3900.0 | nM | 5.41 | Cytotoxicity that caused a 50% reduction in absorbance at 490 nm in human prosta... | 11020285 |
| NON-PROTEIN TARGET | EC50 | = | 5000.0 | nM | 5.3 | Cytotoxicity that caused a 50% reduction in absorbance at 490 nm in normal human... | 11020285 |
| B16 | EC50 | = | 11300.0 | nM | 4.95 | Cytotoxicity that caused a 50% reduction in absorbance at 490 nm in B16 mouse me... | 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