Compound Detail
CHEMBL1230265
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Basic Information
| ChEMBL ID | CHEMBL1230265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZZBHZOHYGEGEE-DOMZBBRYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
389.9
MW (Da)
2.78
ALogP
6
HBA
3
HBD
91.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase CHEMBL1250374 | Kd | 9.48 | 9.48 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | Kd | = | 0.33 | nM | 9.48 | 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 | Unchecked | 2 |
| 19270684 | 10.1038/nchembio.153 | Vibrio cholerae | 1 |
| 19270684 | 10.1038/nchembio.153 | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | 1 |
| 30860833 | 10.1021/acs.jmedchem.8b01642 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine