Compound Detail
CHEMBL1449923
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Basic Information
| ChEMBL ID | CHEMBL1449923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRACJKWGTDYKRU-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
468.5
MW (Da)
3.60
ALogP
8
HBA
1
HBD
112.4
PSA (Ų)
0.29
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 6.22 | 6.22 | 596.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.99 | 5.99 | 1020.0 | 1 |
| Dihydrolipoyl dehydrogenase CHEMBL3988585 | IC50 | 5.88 | 5.88 | 1310.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.72 | 5.72 | 1910.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.52 | 5.52 | 3020.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 4.62 | 4.62 | 24200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 6 | IC50 | = | 596.0 | nM | 6.22 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 7 | IC50 | = | 1020.0 | nM | 5.99 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Dihydrolipoyl dehydrogenase | IC50 | = | 1310.0 | nM | 5.88 | Inhibition Assay: The assay was performed in a manner similar to that described ... | - |
| Sentrin-specific protease 8 | IC50 | = | 1910.0 | nM | 5.72 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Unchecked | IC50 | = | 3020.0 | nM | 5.52 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-... | - |
| Caspase-3 | IC50 | = | 10000.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 24200.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
Data from ChEMBL 36 via Core Engine