Compound Detail
CHEMBL407216
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Basic Information
| ChEMBL ID | CHEMBL407216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYIVMSWPFALBOP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
0.70
ALogP
6
HBA
3
HBD
91.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase CHEMBL1250346 | Ki | 9.08 | 9.08 | 0.8 | 1 |
| S-methyl-5'-thioadenosine phosphorylase CHEMBL4941 | Ki | 6.85 | 6.85 | 140.0 | 1 |
| 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase CHEMBL1075023 | Ki | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | Ki | = | 0.84 | nM | 9.08 | Inhibition of Escherichia coli MTAN | 18251493 |
| S-methyl-5'-thioadenosine phosphorylase | Ki | = | 140.0 | nM | 6.85 | Inhibition of human MTAP | 18251493 |
| 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | Ki | = | 150.0 | nM | 6.82 | Inhibition of Streptococcus pneumoniae MTAN | 18251493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18251493 | 10.1021/jm701265n | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | 2 |
| 18251493 | 10.1021/jm701265n | S-methyl-5'-thioadenosine phosphorylase | 1 |
Data from ChEMBL 36 via Core Engine