Compound Detail
CHEMBL1560993
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Basic Information
| ChEMBL ID | CHEMBL1560993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHSUROLMIRFSKT-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
4.14
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.31
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.23 | 5.23 | 5930.0 | 1 |
| Orexin/Hypocretin receptor type 1 CHEMBL5113 | IC50 | 4.88 | 4.88 | 13314.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 4.85 | 4.85 | 14100.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 4.76 | 4.76 | 17500.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 4.68 | 4.68 | 20800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 7 | IC50 | = | 5930.0 | nM | 5.23 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Orexin/Hypocretin receptor type 1 | IC50 | = | 13314.0 | nM | 4.88 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Sentrin-specific protease 6 | IC50 | = | 14100.0 | nM | 4.85 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 17500.0 | nM | 4.76 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 8 | IC50 | = | 20800.0 | nM | 4.68 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
Data from ChEMBL 36 via Core Engine