Compound Detail
CHEMBL4845930
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Nc1nc2c(ncn2[C@@H]2CN(C(=O)CP(=O)(O)O)C[C@H]2OC[C@@H](O)P(=O)(O)O)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL4845930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRXMUYSDMSQLMG-BHNWBGBOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
482.3
MW (Da)
-2.86
ALogP
10
HBA
7
HBD
254.4
PSA (Ų)
0.20
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 200.0 | nM | 6.7 | 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