Compound Detail
CHEMBL1967857
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Basic Information
| ChEMBL ID | CHEMBL1967857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTLJVBDFPNTYKO-VOTSOKGWSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
3.47
ALogP
6
HBA
1
HBD
81.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.34
EC50 1 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 6.34 | 5.96 | 458.0 | 2 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 6.06 | 6.06 | 863.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.94 | 5.94 | 1150.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 5.82 | 5.82 | 1530.0 | 1 |
| Nucleic Acid CHEMBL345 | EC50 | 5.69 | 5.69 | 2050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 8 | IC50 | = | 458.0 | nM | 6.34 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 7 | IC50 | = | 863.0 | nM | 6.06 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 6 | IC50 | = | 1150.0 | nM | 5.94 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 1530.0 | nM | 5.82 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Nucleic Acid | EC50 | = | 2050.0 | nM | 5.69 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Sentrin-specific protease 8 | IC50 | = | 2620.0 | nM | 5.58 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
Data from ChEMBL 36 via Core Engine