Compound Detail
CHEMBL205040
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Basic Information
| ChEMBL ID | CHEMBL205040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJTBIAMBPGGIGI-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
3.50
ALogP
6
HBA
0
HBD
66.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 6.09 | 6.09 | 805.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.78 | 5.78 | 1670.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.61 | 5.61 | 2470.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.32 | 5.32 | 4770.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 5.09 | 5.09 | 8210.0 | 1 |
| Serine/threonine-protein phosphatase CHEMBL1293265 | IC50 | 4.71 | 4.71 | 19597.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 4.61 | 4.61 | 24400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 6 | IC50 | = | 805.0 | nM | 6.09 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 7 | IC50 | = | 1670.0 | nM | 5.78 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 8 | IC50 | = | 2470.0 | nM | 5.61 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Unchecked | IC50 | = | 4770.0 | nM | 5.32 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-... | - |
| Caspase-3 | IC50 | = | 8210.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Serine/threonine-protein phosphatase | IC50 | = | 19597.0 | nM | 4.71 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 24400.0 | nM | 4.61 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16483771 | 10.1016/j.bmcl.2006.01.067 | Acetylcholinesterase | 2 |
| - | 10.1007/s00044-008-9122-3 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine