Compound Detail
CHEMBL3402689
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Basic Information
| ChEMBL ID | CHEMBL3402689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPDQDAJUQUSSFA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
362.9
MW (Da)
5.39
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.68
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.11 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 16.0 | nM | 7.8 | Inhibition of butter milk Xanthine oxidase using xanthine as substrate preincuba... | 25704891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25704891 | 10.1016/j.bmcl.2015.01.055 | Liver microsome | 1 |
| 25704891 | 10.1016/j.bmcl.2015.01.055 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine