Compound Detail
CHEMBL1320566
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Basic Information
| ChEMBL ID | CHEMBL1320566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTPIWCWTGVSAQW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1617971 |
| Active Moiety | CHEMBL1617971 |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
3.47
ALogP
0
HBA
1
HBD
19.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.85
IC50 3 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.85 | 5.1625 | 1427.0 | 4 |
| DNA dC->dU-editing enzyme APOBEC-3A CHEMBL1741179 | IC50 | 5.46 | 5.46 | 3490.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 4.59 | 4.59 | 25802.0 | 1 |
| Beta-lactamase CHEMBL1293260 | IC50 | 4.31 | 4.31 | 49248.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1427.0 | nM | 5.85 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| DNA dC->dU-editing enzyme APOBEC-3A | IC50 | = | 3490.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3A DNA Deam... | - |
| Unchecked | EC50 | = | 9852.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | EC50 | = | 12152.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | EC50 | = | 13631.0 | nM | 4.87 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Beta Lactamase | IC50 | = | 25802.0 | nM | 4.59 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
| Beta-lactamase | IC50 | = | 49248.0 | nM | 4.31 | PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and ... | - |
Data from ChEMBL 36 via Core Engine