Compound Detail
CHEMBL606332
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Basic Information
| ChEMBL ID | CHEMBL606332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODBRSICVCFEIMK-YNJARDAQSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
315.3
MW (Da)
-0.31
ALogP
9
HBA
3
HBD
119.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Ki 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| S-methyl-5'-thioadenosine phosphorylase CHEMBL2663 | Ki | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| S-methyl-5'-thioadenosine phosphorylase | Ki | = | 3300.0 | nM | 5.48 | Compound was evaluated for the inhibition of mouse liver MTA phosphorylase | 2496231 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2496231 | 10.1021/jm00125a012 | L1210 | 5 |
| 2496231 | 10.1021/jm00125a012 | L5178Y | 5 |
| 2496231 | 10.1021/jm00125a012 | S-methyl-5'-thioadenosine phosphorylase | 1 |
Data from ChEMBL 36 via Core Engine