Compound Detail
CHEMBL4751946
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Basic Information
| ChEMBL ID | CHEMBL4751946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOIAXNQLHHCVAF-APPZFPTMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
197.2
MW (Da)
-0.81
ALogP
4
HBA
3
HBD
72.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 3.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-3-methyladenine glycosylase CHEMBL3396943 | IC50 | 3.8 | 3.8 | 157000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-3-methyladenine glycosylase | IC50 | = | 157000.0 | nM | 3.8 | Inhibition of human AAG using HXO2/Loop01 oligonucleotide as substrate incubated... | 32327352 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32327352 | 10.1016/j.bmc.2020.115507 | DNA-3-methyladenine glycosylase | 1 |
Data from ChEMBL 36 via Core Engine