Compound Detail
CHEMBL1698738
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Basic Information
| ChEMBL ID | CHEMBL1698738 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAXFDGMLBXMOED-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1739828 |
| Active Moiety | CHEMBL1739828 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
302.2
MW (Da)
2.64
ALogP
3
HBA
0
HBD
35.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3A CHEMBL1741179 | IC50 | 5.65 | 5.65 | 2260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 2200.0 | nM | 5.66 | PUBCHEM_BIOASSAY: Dose Response confirmation of APOBEC3A DNA Deaminase Inhibitor... | - |
| DNA dC->dU-editing enzyme APOBEC-3A | IC50 | = | 2260.0 | nM | 5.65 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3A DNA Deam... | - |
Data from ChEMBL 36 via Core Engine