Compound Detail
CHEMBL3601773
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Basic Information
| ChEMBL ID | CHEMBL3601773 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRDBVMUNLWFQGY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
0.80
ALogP
5
HBA
4
HBD
70.2
PSA (Ų)
0.28
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urease CHEMBL4161 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urease | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of jack bean Urease assessed as ammonia production after 15 mins by i... | 26081763 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26081763 | 10.1016/j.bmc.2015.05.038 | Urease | 1 |
Data from ChEMBL 36 via Core Engine