Compound Detail
CHEMBL1241494
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Nc1ncnc2c([C@@H]3N[C@H](CSc4ccc(Cl)cc4)[C@@H](O)[C@H]3O)c[nH]c12
Basic Information
| ChEMBL ID | CHEMBL1241494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYNHVLXSUCFVCL-JMGFVUJMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
391.9
MW (Da)
1.72
ALogP
7
HBA
5
HBD
120.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase CHEMBL1250374 | Kd | 8.66 | 8.66 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | Kd | = | 2.2 | nM | 8.66 | Binding affinity to His-tagged Vibrio cholerae recombinant MTAN expressed in Esc... | 19270684 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19270684 | 10.1038/nchembio.153 | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | 1 |
Data from ChEMBL 36 via Core Engine