Compound Detail
CHEMBL1232180
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1232180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIGGNILBPCEZIV-CVEARBPZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
2.27
ALogP
6
HBA
3
HBD
91.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 10.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase CHEMBL1250374 | Kd | 10.19 | 10.19 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | Kd | = | 0.064 | nM | 10.19 | 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