Compound Detail
CHEMBL4857062
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Basic Information
| ChEMBL ID | CHEMBL4857062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAMKQMUWQIFPRP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
427.2
MW (Da)
-1.41
ALogP
9
HBA
6
HBD
223.1
PSA (Ų)
0.19
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2100.0 | nM | 5.68 | Inhibition of hexa-his tagged Helicobacter pylori XGHPRT using guanine and PRib-... | 33891818 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33891818 | 10.1021/acs.jmedchem.0c02184 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine