Compound Detail
CHEMBL4108769
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Basic Information
| ChEMBL ID | CHEMBL4108769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MALVTYIYMAFEAR-NZJPAHGCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
0.65
ALogP
6
HBA
5
HBD
114.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| S-methyl-5'-thioinosine phosphorylase CHEMBL3988593 | Ki | 10.46 | 9.82 | 0.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| S-methyl-5'-thioinosine phosphorylase | Ki | = | 0.035 | nM | 10.46 | Inhibition Assay: Assays for slow-onset inhibitors were carried out by adding 1 ... | - |
| S-methyl-5'-thioinosine phosphorylase | Ki | = | 0.66 | nM | 9.18 | Inhibition Assay: Assays for slow-onset inhibitors were carried out by adding 1 ... | - |
Data from ChEMBL 36 via Core Engine