Compound Detail
CHEMBL3594260
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 | CHEMBL3594260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPZWCINBEYAGKS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
273.2
MW (Da)
3.12
ALogP
5
HBA
1
HBD
98.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urease subunit alpha/Urease subunit beta CHEMBL3885651 | IC50 | 4.07 | 4.07 | 85000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urease subunit alpha/Urease subunit beta | IC50 | = | 85000.0 | nM | 4.07 | Inhibition of urease isolated from Helicobacter pylori ATCC 43504 assessed as am... | 26113187 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26113187 | 10.1016/j.bmc.2015.06.014 | Urease subunit alpha/Urease subunit beta | 2 |
Data from ChEMBL 36 via Core Engine