Compound Detail
CHEMBL41949
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Basic Information
| ChEMBL ID | CHEMBL41949 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCJZNDIBMCCZDH-KTRJNWGBSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
257.2
MW (Da)
-3.18
ALogP
7
HBA
7
HBD
170.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL2935 | Ki | 10.22 | 10.22 | 0.1 | 1 |
| Purine nucleoside phosphorylase CHEMBL4338 | Ki | 10.02 | 10.02 | 0.1 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.43 | 5.375 | 3700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Ki | = | 0.06 | nM | 10.22 | Inhibitory activity of compound against bovine purine nucleoside phosphorylase (... | 12502369 |
| Purine nucleoside phosphorylase | Ki | = | 0.096 | nM | 10.02 | Inhibitory activity of compound against human purine nucleoside phosphorylase (P... | 12502369 |
| Unchecked | Ki | = | 3700.0 | nM | 5.43 | Inhibitory activity of compound against perine-specific inosine-adenosine-guanos... | 12502369 |
| Unchecked | Ki | = | 4800.0 | nM | 5.32 | Inhibitory activity of compound against inosine-uridine nucleoside hydrolase (IU... | 12502369 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12502369 | 10.1021/jm0203332 | Purine nucleoside phosphorylase | 4 |
| 12502369 | 10.1021/jm0203332 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine