Compound Detail
CHEMBL4437765
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Basic Information
| ChEMBL ID | CHEMBL4437765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IABGABHQOYYTAP-FMQUCBEESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
3.03
ALogP
6
HBA
2
HBD
121.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bacterial urease CHEMBL2364683 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bacterial urease | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of bacterial urease using urea as substrate preincubated for 15 mins ... | 30738655 |
| Unchecked | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of urease (unknown origin) | 35305460 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30738655 | 10.1016/j.bmc.2019.01.043 | Bacterial urease | 2 |
| 35305460 | 10.1016/j.ejmech.2022.114273 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine