Compound Detail
CHEMBL3644483
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Basic Information
| ChEMBL ID | CHEMBL3644483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZTXOEPNHJMRKL-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
-0.57
ALogP
6
HBA
5
HBD
114.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.52
Ki 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL4338 | Kd | 8.52 | 8.52 | 3.0 | 1 |
| S-methyl-5'-thioinosine phosphorylase CHEMBL3988593 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| Purine nucleoside phosphorylase CHEMBL5648 | Kd | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Kd | = | 3.0 | nM | 8.52 | Inhibition Assay: The inhibitor dissociation constants reported in Table 1 below... | - |
| S-methyl-5'-thioinosine phosphorylase | Ki | = | 19.0 | nM | 7.72 | Inhibition Assay: Assays for slow-onset inhibitors were carried out by adding 1 ... | - |
| Purine nucleoside phosphorylase | Kd | = | 4300.0 | nM | 5.37 | Inhibition Assay: The inhibitor dissociation constants reported in Table 1 below... | - |
Data from ChEMBL 36 via Core Engine