Compound Detail
CHEMBL510505
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Basic Information
| ChEMBL ID | CHEMBL510505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVKYVKUHLSBCQL-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
276.4
MW (Da)
3.19
ALogP
5
HBA
1
HBD
46.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.16
Ki 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 6.16 | 6.16 | 693.0 | 1 |
| Adenosine receptor A1 CHEMBL318 | Ki | 5.36 | 5.36 | 4400.0 | 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 | = | 693.0 | nM | 6.16 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3G DNA Deam... | - |
| Adenosine receptor A1 | Ki | = | 4400.0 | nM | 5.36 | Displacement of [3H]CCPA from rat adenosine A1 receptor | 17602796 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17602796 | 10.1016/j.ejmech.2007.05.001 | Adenosine receptor A1 | 2 |
| 17602796 | 10.1016/j.ejmech.2007.05.001 | Adenosine receptor A2a | 1 |
Data from ChEMBL 36 via Core Engine