Compound Detail
CHEMBL157262
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Cc1n[nH]c2c(NCC(C)C)cc(NS(=O)(=O)c3cccc(-c4cccc(C(F)(F)F)c4)c3)cc12
Basic Information
| ChEMBL ID | CHEMBL157262 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCDQHDQMKUTBQE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
6.43
ALogP
4
HBA
3
HBD
86.9
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase CHEMBL1250346 | Ki | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | Ki | = | 20.0 | nM | 7.7 | 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 |
| 14667220 | 10.1021/jm0302039 | Neisseria meningitidis | 1 |
| 14667220 | 10.1021/jm0302039 | Streptococcus pyogenes | 1 |
Data from ChEMBL 36 via Core Engine