Compound Detail
CHEMBL5569467
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
Nc1nc2c(ncn2[C@H]2C[C@H](COCCP(=O)(O)O)N(C(=O)CCP(=O)(O)O)C2)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL5569467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APDUDHYPFAMPGN-VHSXEESVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
494.3
MW (Da)
-1.39
ALogP
9
HBA
6
HBD
234.2
PSA (Ų)
0.17
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxanthine-guanine phosphoribosyltransferase CHEMBL2360 | Ki | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 140.0 | nM | 6.85 | Inhibition of human HGPRT by spectrophotometry | 38651522 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38651522 | 10.1021/acs.jmedchem.4c00021 | Unchecked | 3 |
| 38651522 | 10.1021/acs.jmedchem.4c00021 | Hypoxanthine-guanine phosphoribosyltransferase | 2 |
| 38651522 | 10.1021/acs.jmedchem.4c00021 | Hypoxanthine-guanine-xanthine phosphoribosyltransferase | 1 |
| 38651522 | 10.1021/acs.jmedchem.4c00021 | Xanthine-guanine phosphoribosyltransferase | 1 |
Data from ChEMBL 36 via Core Engine