Compound Detail
CHEMBL1213652
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[3H]C(O)[C@H]1N[C@@H](c2c[nH]c3c(=O)[nH]cnc23)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL1213652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWKXDMQDITUYRK-ITZIIZASSA-N |
| Parent Compound | CHEMBL218291 |
| Active Moiety | CHEMBL218291 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
-2.02
ALogP
6
HBA
6
HBD
134.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 10.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL4338 | Kd | 10.24 | 10.24 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Kd | = | 0.058 | nM | 10.24 | Binding affinity to human PNP | 19620996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19620996 | 10.1038/nchembio.202 | Purine nucleoside phosphorylase | 2 |
Data from ChEMBL 36 via Core Engine