Compound Detail
CHEMBL2105450
OXYCLOZANIDE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL2105450 |
| Name | OXYCLOZANIDE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | JYWIYHUXVMAGLG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
18
Publications
7
Known Names
Molecular Properties
401.5
MW (Da)
5.62
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.45
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 3 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | IC50 | 5.43 | 5.43 | 3710.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.11 | 5.11 | 7710.0 | 1 |
| Endoplasmic reticulum chaperone BiP CHEMBL1781865 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | IC50 | = | 3710.0 | nM | 5.43 | Antiviral activity against SARS-CoV-2 (viral titer) measured by plaque assay in ... | - |
| Leishmania donovani | IC50 | = | 7710.0 | nM | 5.11 | Antileishmanial activity against Leishmania donovani amastigotes infected in J77... | 36565533 |
| Endoplasmic reticulum chaperone BiP | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of GRP78 (26 to 636 residues) (unknown origin) expressed in Escherich... | 31129054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00557K | NON-PROTEIN TARGET | 5 |
| 30108855 | 10.1039/C7MD00140A | Paramphistomum | 5 |
| 36565533 | 10.1016/j.ejmech.2022.114996 | ADMET | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| 31129054 | 10.1016/j.bmcl.2019.05.041 | Endoplasmic reticulum chaperone BiP | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.1101/2020.03.20.999730 | ADMET | 1 |
| - | 10.1101/2020.03.20.999730 | Vero | 1 |
| - | 10.1101/2020.03.20.999730 | SARS-CoV-2 | 1 |
| 35933838 | 10.1016/j.bmc.2022.116938 | Mycobacterium tuberculosis | 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 |
| 23453073 | 10.1016/j.bmcl.2013.01.101 | Frizzled-1 | 1 |
Data from ChEMBL 36 via Core Engine