Compound Detail
CHEMBL1976925
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Basic Information
| ChEMBL ID | CHEMBL1976925 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPGXUZLXHNHLDZ-FOWTUZBSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
2.64
ALogP
4
HBA
1
HBD
52.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3A CHEMBL1741179 | IC50 | 4.24 | 4.24 | 57100.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 4.17 | 4.17 | 68200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3A | IC50 | = | 57100.0 | nM | 4.24 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3A DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 68200.0 | nM | 4.17 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3G DNA Deam... | - |
Data from ChEMBL 36 via Core Engine