Compound Detail
CHEMBL3402693
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Basic Information
| ChEMBL ID | CHEMBL3402693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKIVIQKDUKABFY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
3.92
ALogP
5
HBA
1
HBD
78.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 5390.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 3018.92 | nM | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4.4 | nM | 8.36 | 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 | Rattus norvegicus | 2 |
| 25704891 | 10.1016/j.bmcl.2015.01.055 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine