Compound Detail
CHEMBL554322
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Basic Information
| ChEMBL ID | CHEMBL554322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEDLSMPMUNDIQB-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1161749 |
| Active Moiety | CHEMBL1161749 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
-0.36
ALogP
7
HBA
5
HBD
120.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| S-methyl-5'-thioadenosine phosphorylase CHEMBL4941 | Ki | 9.0 | 8.29 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| S-methyl-5'-thioadenosine phosphorylase | Ki | = | 1.0 | nM | 9.0 | Equilibrium dissociation constant towards human 5'-methylthioadenosine phosphory... | 15163207 |
| S-methyl-5'-thioadenosine phosphorylase | Ki | = | 26.0 | nM | 7.58 | Initial dissociation constant towards human 5'-methylthioadenosine phosphorylase | 15163207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15163207 | 10.1021/jm0306475 | S-methyl-5'-thioadenosine phosphorylase | 2 |
Data from ChEMBL 36 via Core Engine