Compound Detail
CHEMBL207655
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
Nc1ncnc2c([C@@H]3N[C@H](CSCCC(N)C(=O)O)[C@@H](O)[C@H]3O)c[nH]c12
Basic Information
| ChEMBL ID | CHEMBL207655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRAXJFBRKJWNNL-LJJGLLTISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
-1.19
ALogP
9
HBA
7
HBD
183.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase CHEMBL1250346 | Ki | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | Ki | = | 1.7 | nM | 8.77 | Inhibition of Escherichia coli MTAN | 16504506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16504506 | 10.1016/j.bmcl.2006.02.029 | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | 1 |
Data from ChEMBL 36 via Core Engine