Compound Detail
CHEMBL3402688
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3402688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKQWSPYIDFNGGJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
334.8
MW (Da)
5.01
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.73
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.14 | 8.14 | 7.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.6 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7.3 | nM | 8.14 | 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