Compound Detail
CHEMBL1902079
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Basic Information
| ChEMBL ID | CHEMBL1902079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTKMKUNXUMLCNH-MOSHPQCFSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
1.01
ALogP
10
HBA
3
HBD
115.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein phosphatase CHEMBL1293265 | IC50 | 5.24 | 5.24 | 5717.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.15 | 5.15 | 7150.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 4.5 | 4.5 | 31800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.24 | 4.24 | 57900.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 4.11 | 4.11 | 78000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein phosphatase | IC50 | = | 5717.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 7150.0 | nM | 5.15 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
| Sentrin-specific protease 6 | IC50 | = | 31800.0 | nM | 4.5 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
| Unchecked | IC50 | = | 57900.0 | nM | 4.24 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-... | - |
| Sentrin-specific protease 7 | IC50 | = | 78000.0 | nM | 4.11 | PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of Sentrin-specific ... | - |
Data from ChEMBL 36 via Core Engine