Compound Detail
CHEMBL4303199
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 | CHEMBL4303199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXIUMAOXORBRCY-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
3.79
ALogP
2
HBA
3
HBD
48.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.85
Kd 1 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell division control protein 42 homolog CHEMBL6088 | Kd | 6.48 | 6.48 | 332.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 4.85 | 4.85 | 14150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell division control protein 42 homolog | Kd | = | 332.0 | nM | 6.48 | Binding affinity to fluorescently labeled Cdc42 (unknown origin) assessed as dis... | 37253305 |
| SARS-CoV-2 | IC50 | = | 14150.0 | nM | 4.85 | Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o... | - |
| SARS-CoV-2 | IC50 | = | 14150.0 | nM | 4.85 | Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL4495565 | Vero C1008 | 2 |
| - | 10.6019/CHEMBL4495565 | ADMET | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 37253305 | 10.1016/j.bmc.2023.117337 | Cell division control protein 42 homolog | 1 |
| 38354523 | 10.1016/j.ejmech.2024.116209 | 786-0 | 1 |
| 38354523 | 10.1016/j.ejmech.2024.116209 | OS-RC-2 | 1 |
Data from ChEMBL 36 via Core Engine