Compound Detail
CHEMBL3422477
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Basic Information
| ChEMBL ID | CHEMBL3422477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGOYHFLRLZHSDB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
124.1
MW (Da)
-0.91
ALogP
3
HBA
3
HBD
89.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.1 | 4.095 | 80000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 80000.0 | nM | 4.1 | Inhibition of urease from Sporosarcina pasteurii CCM 2056 using urea as substrat... | 25699141 |
| Unchecked | Ki | = | 82000.0 | nM | 4.09 | Inhibition of urease from Proteus mirabilis CCM 1944 using urea as substrate by ... | 25699141 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25699141 | 10.1021/ml500380f | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine