Compound Detail
CHEMBL3290663
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 | CHEMBL3290663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZIYQWYVIMTZMI-OFLNYADTSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
268.2
MW (Da)
-0.82
ALogP
7
HBA
4
HBD
117.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.24 | 8.24 | 5.8 | 1 |
| Adenosylhomocysteinase CHEMBL2664 | IC50 | 8.03 | 7.825 | 9.4 | 2 |
| Human papillomavirus CHEMBL612319 | IC50 | 4.62 | 4.62 | 23880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5.8 | nM | 8.24 | Inhibition of rabbit erythrocyte SAHase using S-adenosyl-L-homocysteine as subst... | 25456389 |
| Adenosylhomocysteinase | IC50 | = | 9.4 | nM | 8.03 | Inhibition of AHCY in human SH-SY5Y cells assessed as formation of homocysteine ... | 24813734 |
| Adenosylhomocysteinase | IC50 | = | 24.0 | nM | 7.62 | Inhibition of recombinant human AHCY using SAH as substrate assessed as formatio... | 24813734 |
| Human papillomavirus | IC50 | = | 23880.0 | nM | 4.62 | Antiviral activity against Human papillomavirus infected in HEK293 cells | 25456389 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25456389 | 10.1016/j.bmc.2014.10.014 | Unchecked | 5 |
| 24813734 | 10.1016/j.bmcl.2014.04.034 | Adenosylhomocysteinase | 2 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | ADMET | 2 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | Vero | 1 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | Tacaribe virus | 1 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | Pichinde virus | 1 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | Rift Valley fever virus | 1 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | MRC5 | 1 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | Measles morbillivirus | 1 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | HEK293 | 1 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | Human papillomavirus | 1 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | Human betaherpesvirus 5 | 1 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | HFF | 1 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | Vaccinia virus | 1 |
| 25456389 | 10.1016/j.bmc.2014.10.014 | Monkeypox virus | 1 |
Data from ChEMBL 36 via Core Engine