Compound Detail
CHEMBL3644486
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Basic Information
| ChEMBL ID | CHEMBL3644486 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZZAMLCSKGDMOZ-DTWKUNHWSA-N |
2
Targets
2
Activities
1
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 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Purine nucleoside phosphorylase CHEMBL4338 | Kd | 7.82 | 7.82 | 15.0 | 1 |
| Purine nucleoside phosphorylase CHEMBL5648 | Kd | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Purine nucleoside phosphorylase | Kd | = | 15.0 | nM | 7.82 | Inhibition Assay: The inhibitor dissociation constants reported in Table 1 below... | - |
| Purine nucleoside phosphorylase | Kd | = | 19.0 | nM | 7.72 | Inhibition Assay: The inhibitor dissociation constants reported in Table 1 below... | - |
Data from ChEMBL 36 via Core Engine