Compound Detail
CHEMBL1390797
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Basic Information
| ChEMBL ID | CHEMBL1390797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDVLIYLYUVDHFN-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
5.16
ALogP
6
HBA
1
HBD
65.2
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.18
IC50 2 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta Lactamase CHEMBL1293246 | IC50 | 5.41 | 5.41 | 3855.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.29 | 5.29 | 5125.0 | 1 |
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein CHEMBL3885546 | EC50 | 5.18 | 5.18 | 6580.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.96 | 4.96 | 11033.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.77 | 4.77 | 16935.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta Lactamase | IC50 | = | 3855.0 | nM | 5.41 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| Toll-like receptor 9 | IC50 | = | 5125.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein | EC50 | = | 6580.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule ago... | - |
| Zinc finger protein mex-5 | EC50 | = | 11033.0 | nM | 4.96 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 16935.0 | nM | 4.77 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine