Compound Detail
CHEMBL1731096
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Basic Information
| ChEMBL ID | CHEMBL1731096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHBULSMFFXTEHH-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
5.09
ALogP
2
HBA
1
HBD
46.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein skinhead-1 CHEMBL2146298 | IC50 | 5.32 | 4.87 | 4770.0 | 2 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 4.47 | 4.47 | 33700.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 4.12 | 4.12 | 75100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein skinhead-1 | IC50 | = | 4770.0 | nM | 5.32 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
| Sentrin-specific protease 7 | IC50 | = | 6100.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 6 | IC50 | = | 33700.0 | nM | 4.47 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Protein skinhead-1 | IC50 | = | 37950.0 | nM | 4.42 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
| Caspase-3 | IC50 | = | 75100.0 | nM | 4.12 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
Data from ChEMBL 36 via Core Engine