Compound Detail
CHEMBL1724713
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Basic Information
| ChEMBL ID | CHEMBL1724713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGOWCNFPIGPKKK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1740254 |
| Active Moiety | CHEMBL1740254 |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
213.3
MW (Da)
1.76
ALogP
1
HBA
1
HBD
33.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 5.96 | 5.4467 | 1100.0 | 3 |
| DNA dC->dU-editing enzyme APOBEC-3A CHEMBL1741179 | IC50 | 5.56 | 4.9967 | 2750.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 1100.0 | nM | 5.96 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3G DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3A | IC50 | = | 2750.0 | nM | 5.56 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3A DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 5960.0 | nM | 5.22 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3G DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 6950.0 | nM | 5.16 | PUBCHEM_BIOASSAY: Dose Response confirmation of APOBEC3A DNA Deaminase Inhibitor... | - |
| DNA dC->dU-editing enzyme APOBEC-3A | IC50 | = | 12800.0 | nM | 4.89 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3A DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3A | IC50 | = | 28600.0 | nM | 4.54 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3A DNA Deam... | - |
Data from ChEMBL 36 via Core Engine