Compound Detail
CHEMBL347181
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CCc1cccc(-c2cccc(S(=O)(=O)Nc3cc(NCC(C)C)c4[nH]nc(C)c4c3)c2)c1
Basic Information
| ChEMBL ID | CHEMBL347181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLLSZNVPIJKFHC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
5.97
ALogP
4
HBA
3
HBD
86.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase CHEMBL1250346 | Ki | 6.9 | 6.9 | 125.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | Ki | = | 125.0 | nM | 6.9 | Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucle... | 14667220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14667220 | 10.1021/jm0302039 | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | 1 |
Data from ChEMBL 36 via Core Engine