Compound Detail
CHEMBL1408066
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Basic Information
| ChEMBL ID | CHEMBL1408066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVFZNTUOXHQSPO-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
3.65
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Ki 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 5.55 | 5.55 | 2840.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.05 | 5.05 | 8870.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 4.44 | 4.44 | 36200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 2840.0 | nM | 5.55 | RTX Competition Binding Assay.: Binding studies with [3H]RTX were carried out as... | - |
| Sentrin-specific protease 7 | IC50 | = | 8870.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 36200.0 | nM | 4.44 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
Data from ChEMBL 36 via Core Engine