Compound Detail
CHEMBL1201881
SEPIMOSTAT MESYLATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1201881 |
| Name | SEPIMOSTAT MESYLATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAMGRNXMZHEICS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL114586 |
| Active Moiety | CHEMBL114586 |
7
Targets
8
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
2.71
ALogP
6
HBA
4
HBD
112.6
PSA (Ų)
0.24
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.54
IC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | IC50 | 6.77 | 6.115 | 170.0 | 2 |
| Serine protease 1 CHEMBL209 | Ki | 6.54 | 6.54 | 290.0 | 1 |
| Plasma kallikrein CHEMBL2000 | Ki | 6.24 | 6.24 | 570.0 | 1 |
| Kallikrein-1 CHEMBL2319 | Ki | 6.21 | 6.21 | 610.0 | 1 |
| Prothrombin CHEMBL204 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
| Complement C1r subcomponent CHEMBL4611 | Ki | 5.19 | 5.19 | 6400.0 | 1 |
| Coagulation factor X CHEMBL244 | Ki | 4.69 | 4.69 | 20400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | IC50 | = | 170.0 | nM | 6.77 | Inhibitory activity against complement mediated hemoyses in classical pathway. | 10669559 |
| Serine protease 1 | Ki | = | 290.0 | nM | 6.54 | Binding affinity against trypsin. | 10669559 |
| Plasma kallikrein | Ki | = | 570.0 | nM | 6.24 | Binding affinity against plasma kallikrein. | 10669559 |
| Kallikrein-1 | Ki | = | 610.0 | nM | 6.21 | Binding affinity against pancreatic kallikrein. | 10669559 |
| Prothrombin | Ki | = | 2500.0 | nM | 5.6 | Binding affinity against plasma thrombin | 10669559 |
| Molecular identity unknown | IC50 | = | 3500.0 | nM | 5.46 | Inhibitory activity against complement mediated hemoyses in alternate pathway. | 10669559 |
| Complement C1r subcomponent | Ki | = | 6400.0 | nM | 5.19 | Binding affinity against factor C1r. | 10669559 |
| Coagulation factor X | Ki | = | 20400.0 | nM | 4.69 | Binding affinity against Coagulation factor X | 10669559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669559 | 10.1021/jm990412m | Molecular identity unknown | 2 |
| 10669559 | 10.1021/jm990412m | Serine protease 1 | 1 |
| 10669559 | 10.1021/jm990412m | Kallikrein-1 | 1 |
| 10669559 | 10.1021/jm990412m | Plasma kallikrein | 1 |
| 10669559 | 10.1021/jm990412m | Prothrombin | 1 |
| 10669559 | 10.1021/jm990412m | Coagulation factor X | 1 |
| 10669559 | 10.1021/jm990412m | Complement C1r subcomponent | 1 |
Data from ChEMBL 36 via Core Engine