Compound Detail
CHEMBL1093346
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Basic Information
| ChEMBL ID | CHEMBL1093346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSHSYBSEZAKVGL-OVCLIPMQSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
280.7
MW (Da)
3.38
ALogP
5
HBA
0
HBD
51.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine hydrolase RBBP9 CHEMBL1075121 | IC50 | 5.72 | 5.72 | 1900.0 | 2 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.58 | 5.58 | 2630.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 4.93 | 4.93 | 11700.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 4.82 | 4.82 | 15100.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 4.72 | 4.72 | 19200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine hydrolase RBBP9 | IC50 | = | 1900.0 | nM | 5.72 | Displacement of fluorophosphate-rhodamine from RBBP9 transfected in human HEK293... | 20207142 |
| Serine hydrolase RBBP9 | IC50 | = | 1900.0 | nM | 5.72 | PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identi... | - |
| Sentrin-specific protease 7 | IC50 | = | 2630.0 | nM | 5.58 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 6 | IC50 | = | 11700.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 15100.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 8 | IC50 | = | 19200.0 | nM | 4.72 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20207142 | 10.1016/j.bmcl.2010.02.011 | Serine hydrolase RBBP9 | 5 |
Data from ChEMBL 36 via Core Engine