Molecule Details
| InChIKey | FSWFYCYPTDLKON-CMJOXMDJSA-N |
|---|---|
| Compound Name | Milvexian |
| Canonical SMILES | C[C@@H]1CCC[C@H](n2cnc(-c3cc(Cl)ccc3-n3cc(Cl)nn3)cc2=O)c2cc(ccn2)-c2c(cnn2C(F)F)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.31 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16233 |
|---|---|
| Drug Name | Milvexian |
| CAS Number | 1802425-99-5 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Milvexian is under investigation in clinical trial NCT03766581 (A Study on BMS-986177 for the Prevention of a Stroke in Patients Receiving Aspirin and Clopidogrel). |
Cross-references: CHEMBL4112929 ChemSpider: 76803905 PDB: YXG
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P03951 | F11 | Homo sapiens | Human | PF00024 PF00089 | 10.0 | Ki | ChEMBL;BindingDB |
| P03952 | KLKB1 | Homo sapiens | Human | PF00024 PF00089 | 7.5 | Ki | ChEMBL;BindingDB |
| P17538 | CTRB1 | Homo sapiens | Human | PF00089 | 7.5 | Ki | ChEMBL |
| P40313 | CTRL | Homo sapiens | Human | PF00089 | 7.5 | Ki | ChEMBL |
| Q6GPI1 | CTRB2 | Homo sapiens | Human | PF00089 | 7.5 | Ki | ChEMBL;BindingDB |
| Q99895 | CTRC | Homo sapiens | Human | PF00089 | 7.5 | Ki | ChEMBL |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 6.1 | Ki | ChEMBL;BindingDB |
| P07478 | PRSS2 | Homo sapiens | Human | PF00089 | 6.1 | Ki | ChEMBL |
| P35030 | PRSS3 | Homo sapiens | Human | PF00089 | 6.1 | Ki | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P03951 | F11 | Coagulation factor XI | inhibitor | targets |