Compound Detail
CHEMBL4162915
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 | CHEMBL4162915 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEPIQQPWCFEGTP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
214.7
MW (Da)
1.65
ALogP
3
HBA
3
HBD
61.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urease subunit alpha/Urease subunit beta CHEMBL3885651 | IC50 | 7.26 | 6.245 | 55.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urease subunit alpha/Urease subunit beta | IC50 | = | 55.0 | nM | 7.26 | Inhibition of Helicobacter pylori ATCC 43504 urease assessed as reduction in amm... | 30006158 |
| Urease subunit alpha/Urease subunit beta | IC50 | = | 5910.0 | nM | 5.23 | Inhibition of urease in Helicobacter pylori ATCC 43504 assessed as reduction in ... | 30006158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30006158 | 10.1016/j.ejmech.2018.06.065 | Helicobacter pylori | 4 |
| 30006158 | 10.1016/j.ejmech.2018.06.065 | Urease subunit alpha/Urease subunit beta | 3 |
| 30006158 | 10.1016/j.ejmech.2018.06.065 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine