Compound Detail
CHEMBL1312653
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Basic Information
| ChEMBL ID | CHEMBL1312653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZJRTBMMDLIHFR-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1617512 |
| Active Moiety | CHEMBL1617512 |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
2.78
ALogP
3
HBA
1
HBD
45.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 6.22 | 5.4633 | 601.0 | 3 |
| DNA dC->dU-editing enzyme APOBEC-3A CHEMBL1741179 | IC50 | 5.54 | 4.9367 | 2880.0 | 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 | = | 601.0 | nM | 6.22 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3G DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3A | IC50 | = | 2880.0 | nM | 5.54 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3A DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 7420.0 | nM | 5.13 | PUBCHEM_BIOASSAY: Dose Response confirmation of APOBEC3A DNA Deaminase Inhibitor... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 9170.0 | nM | 5.04 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3G DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3A | IC50 | = | 20300.0 | nM | 4.69 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3A DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3A | IC50 | = | 26600.0 | nM | 4.58 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3A DNA Deam... | - |
Data from ChEMBL 36 via Core Engine