Compound Detail
CHEMBL1506533
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Basic Information
| ChEMBL ID | CHEMBL1506533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJQRWYHEWWJLLL-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
378.2
MW (Da)
3.46
ALogP
5
HBA
2
HBD
86.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.16
IC50 2 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leucine aminopeptidase CHEMBL1293313 | IC50 | 5.83 | 5.83 | 1480.0 | 1 |
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein CHEMBL3885546 | IC50 | 5.67 | 5.67 | 2160.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.16 | 5.16 | 6887.0 | 1 |
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein CHEMBL3885546 | EC50 | 5.05 | 5.05 | 8830.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.01 | 5.01 | 9704.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.7 | 4.7 | 20093.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leucine aminopeptidase | IC50 | = | 1480.0 | nM | 5.83 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... | - |
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein | IC50 | = | 2160.0 | nM | 5.67 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule ant... | - |
| Streptococcus sp. 'group A' | EC50 | = | 6887.0 | nM | 5.16 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein | EC50 | = | 8830.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule ago... | - |
| Streptokinase A | EC50 | = | 9704.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 20093.0 | nM | 4.7 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Data from ChEMBL 36 via Core Engine