Compound Detail
CHEMBL1985081
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Basic Information
| ChEMBL ID | CHEMBL1985081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSJZYJBQQBDDKE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
349.8
MW (Da)
4.02
ALogP
7
HBA
1
HBD
80.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 4.69 | 4.69 | 20600.0 | 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 | = | 20600.0 | nM | 4.69 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3G DNA Deam... | - |
Data from ChEMBL 36 via Core Engine