Compound Detail
CHEMBL5176164
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 | CHEMBL5176164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYQAZJPTQKQPCL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
421.6
MW (Da)
3.29
ALogP
3
HBA
2
HBD
61.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosylhomocysteinase CHEMBL2664 | IC50 | 5.46 | 5.46 | 3480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosylhomocysteinase | IC50 | = | 3480.0 | nM | 5.46 | Inhibition of SAH hydrolase (unknown origin) | 35809817 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35809817 | 10.1016/j.bmcl.2022.128880 | Adenosylhomocysteinase | 3 |
| 35809817 | 10.1016/j.bmcl.2022.128880 | MCF7 | 1 |
| 35809817 | 10.1016/j.bmcl.2022.128880 | A549 | 1 |
| 35809817 | 10.1016/j.bmcl.2022.128880 | HeLa | 1 |
| 35809817 | 10.1016/j.bmcl.2022.128880 | MGC-803 | 1 |
| 35809817 | 10.1016/j.bmcl.2022.128880 | L02 | 1 |
Data from ChEMBL 36 via Core Engine