Compound Detail
CHEMBL4776100
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 | CHEMBL4776100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBMUCAGIWZIZIC-XDHOZWIPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
8.26
ALogP
4
HBA
0
HBD
48.3
PSA (Ų)
0.12
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urease CHEMBL4161 | IC50 | 5.16 | 5.16 | 6880.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urease | IC50 | = | 6880.0 | nM | 5.16 | Inhibition of jack bean urease assessed as reduction in ammonia production using... | 31623971 |
| Urease | IC50 | = | 6880.0 | nM | 5.16 | Inhibition of jack bean urease assessed as reduction on ammonia production using... | 35305460 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31623971 | 10.1016/j.bmc.2019.115123 | Urease | 2 |
| 35305460 | 10.1016/j.ejmech.2022.114273 | Urease | 1 |
Data from ChEMBL 36 via Core Engine