Compound Detail
CHEMBL4277753
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Nc1nc2c(ncn2[C@@H]2CN(C(=O)CCP(=O)(O)O)C[C@H]2OC[C@H](O)P(=O)(O)O)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL4277753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBYFDIJTTUISNF-NQMVMOMDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
496.3
MW (Da)
-2.47
ALogP
10
HBA
7
HBD
254.4
PSA (Ų)
0.19
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxanthine-guanine phosphoribosyltransferase CHEMBL2360 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| Hypoxanthine-guanine phosphoribosyltransferase CHEMBL4295584 | Ki | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 8.0 | nM | 8.1 | Inhibition of recombinant human HGPRT using fixed concentration of guanine and v... | 30265958 |
| Hypoxanthine-guanine phosphoribosyltransferase | Ki | = | 130.0 | nM | 6.89 | Inhibition of Mycobacterium tuberculosis recombinant N-terminal 6His-tagged HGPR... | 30265958 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30265958 | 10.1016/j.ejmech.2018.09.039 | Hypoxanthine-guanine phosphoribosyltransferase | 2 |
| 30265958 | 10.1016/j.ejmech.2018.09.039 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine