Compound Detail
CHEMBL1491305
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Basic Information
| ChEMBL ID | CHEMBL1491305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTISUNSASAUMMA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
292.7
MW (Da)
3.21
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | IC50 | 5.78 | 5.78 | 1680.0 | 1 |
| Molecular identity unknown CHEMBL612546 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.49 | 5.49 | 3270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | IC50 | = | 1680.0 | nM | 5.78 | Antiviral activity against SARS-CoV-2 infected in African Green monkey Vero cell... | 35344901 |
| Molecular identity unknown | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of Wnt3A/beta-casein signaling in HEK293 cells after 8 hrs by TOPflas... | 23453073 |
| Leishmania donovani | IC50 | = | 3270.0 | nM | 5.49 | Antileishmanial activity against Leishmania donovani amastigotes infected in J77... | 36565533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35398731 | 10.1016/j.ejmech.2022.114318 | Pseudomonas aeruginosa | 4 |
| 37804994 | 10.1016/j.bmcl.2023.129498 | SH-SY5Y | 3 |
| 22970937 | 10.1021/jm3007596 | Toxoplasma gondii | 2 |
| 35344901 | 10.1016/j.ejmech.2022.114295 | Vero C1008 | 2 |
| 35344901 | 10.1016/j.ejmech.2022.114295 | ADMET | 2 |
| 36565533 | 10.1016/j.ejmech.2022.114996 | 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 |
| 35344901 | 10.1016/j.ejmech.2022.114295 | SARS-CoV-2 | 1 |
| 36565533 | 10.1016/j.ejmech.2022.114996 | Leishmania donovani | 1 |
| 36565533 | 10.1016/j.ejmech.2022.114996 | J774.A1 | 1 |
| 36565533 | 10.1016/j.ejmech.2022.114996 | Vero | 1 |
Data from ChEMBL 36 via Core Engine