Compound Detail
CHEMBL4115457
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4115457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEFCDHVOIJJYDC-JHJMLUEUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
1.19
ALogP
5
HBA
3
HBD
85.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| S-methyl-5'-thioinosine phosphorylase CHEMBL3988593 | Ki | 10.14 | 9.78 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| S-methyl-5'-thioinosine phosphorylase | Ki | = | 0.072 | nM | 10.14 | Inhibition Assay: Assays for slow-onset inhibitors were carried out by adding 1 ... | - |
| S-methyl-5'-thioinosine phosphorylase | Ki | = | 0.38 | nM | 9.42 | Inhibition Assay: Assays for slow-onset inhibitors were carried out by adding 1 ... | - |
Data from ChEMBL 36 via Core Engine