Compound Detail
CHEMBL3604366
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Basic Information
| ChEMBL ID | CHEMBL3604366 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQEKZBUJDUBSPS-WEPFQVLXSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
-0.18
ALogP
7
HBA
4
HBD
117.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.43 | 5.43 | 3750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3750.0 | nM | 5.43 | Inhibition of rabbit erythrocytic AdoHcy hydrolase using AdoHcy as substrate ass... | 26260336 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26260336 | 10.1016/j.bmc.2015.07.039 | ADMET | 4 |
| 26260336 | 10.1016/j.bmc.2015.07.039 | Unchecked | 2 |
| 26260336 | 10.1016/j.bmc.2015.07.039 | Respiratory syncytial virus | 2 |
| 26260336 | 10.1016/j.bmc.2015.07.039 | Rift Valley fever virus | 1 |
| 26260336 | 10.1016/j.bmc.2015.07.039 | Tacaribe virus | 1 |
| 26260336 | 10.1016/j.bmc.2015.07.039 | Dengue virus | 1 |
| 26260336 | 10.1016/j.bmc.2015.07.039 | Measles morbillivirus | 1 |
| 26260336 | 10.1016/j.bmc.2015.07.039 | Vero | 1 |
| 26260336 | 10.1016/j.bmc.2015.07.039 | West Nile virus | 1 |
| 26260336 | 10.1016/j.bmc.2015.07.039 | Vaccinia virus | 1 |
| 26260336 | 10.1016/j.bmc.2015.07.039 | Venezuelan equine encephalitis virus | 1 |
| 26260336 | 10.1016/j.bmc.2015.07.039 | Hepatitis C virus | 1 |
| 26260336 | 10.1016/j.bmc.2015.07.039 | HEL | 1 |
| 26260336 | 10.1016/j.bmc.2015.07.039 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine