Compound Detail
CHEMBL178459
OLTIPRAZ 🧪 Phase III
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
🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL178459 |
| Name | OLTIPRAZ |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | CKNAQFVBEHDJQV-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
2
Known Names
3
Indications
Molecular Properties
226.3
MW (Da)
3.30
ALogP
5
HBA
0
HBD
25.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Non-alcoholic Fatty Liver Disease Liver Cirrhosis Lung Neoplasms
Activity Summary
IC50 2 meas. best 6.68
Ki 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.68 | 6.445 | 210.0 | 2 |
| Cytochrome P450 1A2 CHEMBL3356 | Ki | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 210.0 | nM | 6.68 | SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response ... | - |
| Replicase polyprotein 1ab | IC50 | = | 620.0 | nM | 6.21 | SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response ... | - |
| Cytochrome P450 1A2 | Ki | = | 9000.0 | nM | 5.05 | Mechanism based inhibition of human cytochrome P450 1A2 measured by 7-ethoxyreso... | 16248836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20655236 | 10.1016/j.bmc.2010.06.084 | Tyrosine-protein phosphatase non-receptor type 1 | 11 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 8 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 27396732 | 10.1021/acs.jmedchem.5b02038 | Schistosoma mansoni | 4 |
| 10590227 | 10.1093/carcin/20.12.2327 | ATP-binding cassette sub-family C member 2 | 4 |
| 20655236 | 10.1016/j.bmc.2010.06.084 | Tyrosine-protein phosphatase non-receptor type 11 | 3 |
| 12920174 | 10.1124/dmd.31.9.1176 | ATP-binding cassette sub-family C member 3 | 3 |
| 27157007 | 10.1016/j.bmc.2016.04.054 | HCT-116 | 3 |
| 14570762 | 10.1124/dmd.31.11.1315 | ATP-binding cassette sub-family C member 3 | 2 |
| 31136174 | 10.1021/acs.jnatprod.9b00290 | HepG2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 12920174 | 10.1124/dmd.31.9.1176 | ATP-binding cassette sub-family C member 2 | 2 |
| 16248836 | 10.2174/138920005774330639 | Cytochrome P450 1A2 | 2 |
| 26348784 | 10.1021/acs.jmedchem.5b00602 | Nuclear factor erythroid 2-related factor 2 | 1 |
| 15686952 | 10.1016/j.bmcl.2004.11.074 | No relevant target | 1 |
| 27428395 | 10.1016/j.ejmech.2016.06.055 | NON-PROTEIN TARGET | 1 |
| 11557128 | 10.1016/s0300-483x(01)00456-5 | ATP-binding cassette sub-family C member 2 | 1 |
| 12065443 | 10.1124/dmd.30.7.838 | Multidrug resistance protein 1a | 1 |
| 15686952 | 10.1016/j.bmcl.2004.11.074 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine