Compound Detail
CHEMBL4129997
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Basic Information
| ChEMBL ID | CHEMBL4129997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCKQCCBCQFXYNJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
493.6
MW (Da)
5.05
ALogP
8
HBA
2
HBD
110.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urease CHEMBL5325 | IC50 | 5.59 | 5.59 | 2580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urease | IC50 | = | 2580.0 | nM | 5.59 | Inhibition of Campylobacter pylori urease preincubated for 5 mins followed by ur... | 29903414 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29903414 | 10.1016/j.bmc.2018.06.005 | Urease | 2 |
Data from ChEMBL 36 via Core Engine