Compound Detail
CHEMBL1988780
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Basic Information
| ChEMBL ID | CHEMBL1988780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYGMQSSRLXYBCP-DTQAZKPQSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
4.30
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 6.11 | 5.92 | 782.0 | 2 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.91 | 5.91 | 1220.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.85 | 5.85 | 1420.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 8 | IC50 | = | 782.0 | nM | 6.11 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 7 | IC50 | = | 1220.0 | nM | 5.91 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 6 | IC50 | = | 1420.0 | nM | 5.85 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 1500.0 | nM | 5.82 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 8 | IC50 | = | 1880.0 | nM | 5.73 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine