Compound Detail
CHEMBL1372179
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Basic Information
| ChEMBL ID | CHEMBL1372179 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWRLEMDHSFGCKK-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
373.3
MW (Da)
3.33
ALogP
5
HBA
0
HBD
92.5
PSA (Ų)
0.26
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.34
IC50 1 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 5.34 | 5.34 | 4590.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 4.87 | 4.87 | 13468.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 4.64 | 4.64 | 22670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 4590.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Melanocortin receptor 4 | IC50 | = | 13468.0 | nM | 4.87 | PUBCHEM_BIOASSAY: TRFRET-based cell-based high throughput dose response assay fo... | - |
| Heat shock factor protein 1 | EC50 | = | 22670.0 | nM | 4.64 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators o... | - |
Data from ChEMBL 36 via Core Engine