Compound Detail
CHEMBL3193011
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Basic Information
| ChEMBL ID | CHEMBL3193011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDHMYSSPRFRNGI-GZTJUZNOSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
2.06
ALogP
7
HBA
1
HBD
65.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.94 | 5.94 | 1160.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.63 | 5.63 | 2360.0 | 1 |
| Serine/threonine-protein phosphatase CHEMBL1293265 | IC50 | 5.4 | 5.4 | 4015.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.25 | 5.25 | 5620.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 5.24 | 5.24 | 5780.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 4.26 | 4.26 | 54500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1160.0 | nM | 5.94 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 2360.0 | nM | 5.63 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
| Serine/threonine-protein phosphatase | IC50 | = | 4015.0 | nM | 5.4 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Sentrin-specific protease 6 | IC50 | = | 5620.0 | nM | 5.25 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 8 | IC50 | = | 5780.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 7 | IC50 | = | 54500.0 | nM | 4.26 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
Data from ChEMBL 36 via Core Engine