Compound Detail
CHEMBL593726
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 | CHEMBL593726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUTVAINFFRUWFA-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
371.6
MW (Da)
3.97
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.0
EC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | IC50 | 7.0 | 7.0 | 101.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.96 | 6.3467 | 110.0 | 3 |
| Molecular identity unknown CHEMBL612546 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 6.1 | 6.1 | 798.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | IC50 | = | 101.0 | nM | 7.0 | Antiviral activity against SARS Cov-2 USA_WA1/2020 infected in Vero E6 cells ass... | 33689873 |
| Unchecked | IC50 | = | 110.0 | nM | 6.96 | Antiviral activity against Zika virus infected in SNB-19 cells assessed as reduc... | 33689873 |
| Molecular identity unknown | IC50 | = | 260.0 | nM | 6.58 | Inhibition of Wnt3A/beta-casein signaling in HEK293 cells after 8 hrs by TOPflas... | 23453073 |
| Plasmodium falciparum | EC50 | = | 798.0 | nM | 6.1 | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... | 18579783 |
| Unchecked | IC50 | = | 840.0 | nM | 6.08 | Inhibition of NS-1in Zika virus | 33689873 |
| Unchecked | IC50 | = | 990.0 | nM | 6.0 | Inhibition of envelope protein in Zika virus | 33689873 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35398731 | 10.1016/j.ejmech.2022.114318 | Pseudomonas aeruginosa | 4 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | Unchecked | 3 |
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | ADMET | 2 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | SARS-CoV-2 | 2 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
| 23453073 | 10.1016/j.bmcl.2013.01.101 | Molecular identity unknown | 1 |
| 23453073 | 10.1016/j.bmcl.2013.01.101 | Frizzled-1 | 1 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | SNB-19 | 1 |
| 33689873 | 10.1016/j.bmcl.2021.127906 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine