Compound Detail
CHEMBL85164
CAMOSTAT MESILATE 🧪 Phase III
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🧪 Phase III
CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1.CS(=O)(=O)O
Basic Information
| ChEMBL ID | CHEMBL85164 |
| Name | CAMOSTAT MESILATE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | FSEKIHNIDBATFG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL590799 |
| Active Moiety | CHEMBL590799 |
5
Targets
6
Activities
1
Assay Types
1
PK Parameters
16
Publications
3
Known Names
3
Indications
Molecular Properties
398.4
MW (Da)
1.39
ALogP
6
HBA
3
HBD
134.8
PSA (Ų)
0.28
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Severe Acute Respiratory Syndrome Severe Acute Respiratory Syndrome Protein-Losing Enteropathies
Activity Summary
IC50 6 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease 1 CHEMBL209 | IC50 | 7.3 | 7.3 | 50.6 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 6.19 | 6.19 | 640.0 | 1 |
| Kallikrein-1 CHEMBL2319 | IC50 | 5.83 | 5.15 | 1480.0 | 2 |
| Plasminogen CHEMBL3204 | IC50 | 5.58 | 5.58 | 2620.0 | 1 |
| Prothrombin CHEMBL204 | IC50 | 4.5 | 4.5 | 31600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1820.0 | ng.hr.mL-1 | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease 1 | IC50 | = | 50.6 | nM | 7.3 | Concentration required to inhibit enzymatic cleavage of the chromogenic substrat... | 7629790 |
| SARS-CoV-2 | IC50 | = | 640.0 | nM | 6.19 | Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o... | - |
| Kallikrein-1 | IC50 | = | 1480.0 | nM | 5.83 | Concentration required to inhibit enzymatic cleavage of the chromogenic substrat... | 7629790 |
| Plasminogen | IC50 | = | 2620.0 | nM | 5.58 | Concentration required to inhibit enzymatic cleavage of the chromogenic substrat... | 7629790 |
| Prothrombin | IC50 | = | 31600.0 | nM | 4.5 | Concentration required to inhibit enzymatic cleavage of the chromogenic substrat... | 7629790 |
| Kallikrein-1 | IC50 | = | 34100.0 | nM | 4.47 | Concentration required to inhibit enzymatic cleavage of the chromogenic substrat... | 7629790 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7629790 | 10.1021/jm00014a003 | Kallikrein-1 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 7629790 | 10.1021/jm00014a003 | Serine protease 1 | 1 |
| 7629790 | 10.1021/jm00014a003 | Prothrombin | 1 |
| 7629790 | 10.1021/jm00014a003 | Plasminogen | 1 |
| 7629790 | 10.1021/jm00014a003 | Chymotrypsinogen A | 1 |
| 7629790 | 10.1021/jm00014a003 | Cathepsin G | 1 |
| 7629790 | 10.1021/jm00014a003 | Neutrophil elastase | 1 |
| 7629790 | 10.1021/jm00014a003 | Unchecked | 1 |
| 7629790 | 10.1021/jm00014a003 | Canis familiaris | 1 |
| - | 10.1101/2020.04.03.023846 | SARS-CoV-2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | Caco-2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | ADMET | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 38160620 | 10.1016/j.ejmech.2023.116069 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine