Compound Detail
CHEMBL3926568
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Basic Information
| ChEMBL ID | CHEMBL3926568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEGPJIDHJRYULC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
-0.48
ALogP
6
HBA
4
HBD
105.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| S-methyl-5'-thioinosine phosphorylase CHEMBL3988593 | Ki | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| S-methyl-5'-thioinosine phosphorylase | Ki | = | 1.21 | nM | 8.92 | Inhibition Assay: Assays for slow-onset inhibitors were carried out by adding 1 ... | - |
Data from ChEMBL 36 via Core Engine