Molecule Details
| InChIKey | QMRJOIUGPCVZPH-UHFFFAOYSA-N |
|---|---|
| Compound Name | Sepimostat |
| Canonical SMILES | N=C(N)c1ccc2cc(OC(=O)c3ccc(NC4=NCCN4)cc3)ccc2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.82 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB20058 |
|---|---|
| Drug Name | Sepimostat |
| CAS Number | 103926-64-3 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Sepimostat is a small molecule drug. Sepimostat has a monoisotopic molecular weight of 373.15 Da. |
Cross-references: BindingDB: 50369774 CHEMBL114586
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00748 | F12 | Homo sapiens | Human | PF00008 PF00039 PF00040 PF00051 PF00089 | 7.7 | Ki | ChEMBL;BindingDB |
| P07478 | PRSS2 | Homo sapiens | Human | PF00089 | 7.0 | Ki | ChEMBL |
| P35030 | PRSS3 | Homo sapiens | Human | PF00089 | 7.0 | Ki | ChEMBL |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 6.8 | Ki | ChEMBL;BindingDB |
| P03952 | KLKB1 | Homo sapiens | Human | PF00024 PF00089 | 6.2 | Ki | ChEMBL;BindingDB |
| P06870 | KLK1 | Homo sapiens | Human | PF00089 | 6.2 | Ki | ChEMBL;BindingDB |