Compound Detail
CHEMBL1535503
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Basic Information
| ChEMBL ID | CHEMBL1535503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGGMLLZHZZVHJN-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
3.34
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.67 | 5.67 | 2140.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.62 | 5.62 | 2410.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.62 | 5.62 | 2390.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.46 | 5.46 | 3490.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 5.24 | 5.24 | 5810.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.18 | 5.18 | 6610.0 | 1 |
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 5.05 | 5.05 | 8960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2140.0 | nM | 5.67 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-... | - |
| Sentrin-specific protease 8 | IC50 | = | 2410.0 | nM | 5.62 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 6 | IC50 | = | 2390.0 | nM | 5.62 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 7 | IC50 | = | 3490.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 5810.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 6610.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
| Tyrosyl-DNA phosphodiesterase 2 | IC50 | = | 8960.0 | nM | 5.05 | PubChem BioAssay. Epi Absorbance-based biochemical high throughput dose response... | - |
Data from ChEMBL 36 via Core Engine