Compound Detail
CHEMBL1475128
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Basic Information
| ChEMBL ID | CHEMBL1475128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWKYFLQHMXEKJX-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
3.53
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.33
EC50 2 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 6.33 | 6.075 | 471.0 | 2 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 6.03 | 6.03 | 938.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.97 | 5.97 | 1080.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 5.91 | 5.91 | 1220.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.59 | 5.26 | 2553.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 8 | IC50 | = | 471.0 | nM | 6.33 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 7 | IC50 | = | 938.0 | nM | 6.03 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 6 | IC50 | = | 1080.0 | nM | 5.97 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 1220.0 | nM | 5.91 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 8 | IC50 | = | 1530.0 | nM | 5.82 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Unchecked | EC50 | = | 2553.0 | nM | 5.59 | PUBCHEM_BIOASSAY: Luminescent Cell-Based Dose Titration Retest Counterscreen to ... | - |
| Unchecked | EC50 | = | 11824.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
Data from ChEMBL 36 via Core Engine