Compound Detail
CHEMBL517444
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Basic Information
| ChEMBL ID | CHEMBL517444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHMNTNAGTIOSPP-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
487.7
MW (Da)
4.53
ALogP
7
HBA
2
HBD
106.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.46
Ki 1 meas. best 4.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 5.46 | 5.46 | 3470.0 | 1 |
| fMet-Leu-Phe receptor CHEMBL3359 | Ki | 4.49 | 4.49 | 32500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 3470.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| fMet-Leu-Phe receptor | Ki | = | 32500.0 | nM | 4.49 | PubChem BioAssay. Dose Response Assay for Formylpeptide Receptor (FPR) Ligands a... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18358729 | 10.1016/j.bmc.2008.03.004 | Collagenase 3 | 1 |
Data from ChEMBL 36 via Core Engine