Compound Detail
CHEMBL2179155
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 | CHEMBL2179155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTLJGBYDUIOYNG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
297.1
MW (Da)
3.53
ALogP
3
HBA
3
HBD
75.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.78 | 4.57 | 16500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 16500.0 | nM | 4.78 | Inhibition of envelope protein in Zika virus | 33689873 |
| Unchecked | IC50 | = | 44150.0 | nM | 4.36 | Inhibition of NS-1in Zika virus | 33689873 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35398731 | 10.1016/j.ejmech.2022.114318 | Pseudomonas aeruginosa | 4 |
| 22970937 | 10.1021/jm3007596 | Toxoplasma gondii | 2 |
| 33112138 | 10.1021/acs.jmedchem.0c01226 | Human adenovirus 5 | 2 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | Unchecked | 2 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | ADMET | 2 |
| 23453073 | 10.1016/j.bmcl.2013.01.101 | Molecular identity unknown | 1 |
| 23453073 | 10.1016/j.bmcl.2013.01.101 | Frizzled-1 | 1 |
| 33112138 | 10.1021/acs.jmedchem.0c01226 | A549 | 1 |
| 33112138 | 10.1021/acs.jmedchem.0c01226 | Unchecked | 1 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | No relevant target | 1 |
| 33895704 | 10.1016/j.bmc.2021.116157 | Respiratory syncytial virus | 1 |
| 33895704 | 10.1016/j.bmc.2021.116157 | A549 | 1 |
| 37058956 | 10.1016/j.ejmech.2023.115320 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine