Compound Detail
CHEMBL3209654
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Basic Information
| ChEMBL ID | CHEMBL3209654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMQCLTHPCUOTPC-QFVQXBGYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
2.12
ALogP
4
HBA
3
HBD
80.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.68 | 5.68 | 2090.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.6 | 5.6 | 2520.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 4.79 | 4.79 | 16400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 6 | IC50 | = | 2090.0 | nM | 5.68 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 7 | IC50 | = | 2520.0 | nM | 5.6 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 16400.0 | nM | 4.79 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
Data from ChEMBL 36 via Core Engine