Compound Detail
CHEMBL4247495
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Basic Information
| ChEMBL ID | CHEMBL4247495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROCWONVWEMBXNL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
181.2
MW (Da)
0.88
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urease subunit alpha/Urease subunit beta CHEMBL3885651 | IC50 | 4.24 | 4.24 | 57100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urease subunit alpha/Urease subunit beta | IC50 | = | 57100.0 | nM | 4.24 | Inhibition of Helicobacter pylori ATCC 43504 urease assessed as reduction in amm... | 29983280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29983280 | 10.1016/j.bmc.2018.07.003 | Urease subunit alpha/Urease subunit beta | 2 |
Data from ChEMBL 36 via Core Engine