Compound Detail
CHEMBL281980
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Basic Information
| ChEMBL ID | CHEMBL281980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEBULUVFDZSBFP-SDNWHVSQSA-N |
6
Targets
7
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
3.81
ALogP
3
HBA
0
HBD
60.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.16
EC50 2 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 6.39 | 6.39 | 404.0 | 1 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 6.16 | 6.16 | 696.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 6.1 | 6.1 | 789.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 6.05 | 6.0 | 884.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.95 | 5.95 | 1113.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | EC50 | = | 404.0 | nM | 6.39 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Sentrin-specific protease 7 | IC50 | = | 696.0 | nM | 6.16 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 6 | IC50 | = | 789.0 | nM | 6.1 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 8 | IC50 | = | 884.0 | nM | 6.05 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Unchecked | EC50 | = | 1113.0 | nM | 5.95 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Sentrin-specific protease 8 | IC50 | = | 1130.0 | nM | 5.95 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 5900.0 | nM | 5.23 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10212121 | 10.1021/jm9806695 | P388 | 2 |
| 10212121 | 10.1021/jm9806695 | L1210 | 2 |
| 10212121 | 10.1021/jm9806695 | MOLT-4 | 2 |
| 10212121 | 10.1021/jm9806695 | CCRF-CEM | 2 |
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine