Molecule Details
| InChIKey | RENRQMCACQEWFC-UGKGYDQZSA-N |
|---|---|
| Compound Name | Iptacopan |
| Canonical SMILES | CCO[C@H]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[C@H](c2ccc(C(=O)O)cc2)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.69 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16200 |
|---|---|
| Drug Name | Iptacopan |
| CAS Number | 1644670-37-0 |
| Groups | approved investigational |
| ATC Codes | L04AJ08 |
| Description | Iptacopan is a small-molecule factor B inhibitor previously investigated as a potential treatment for the rare blood disease paroxysmal nocturnal hemoglobinuria (PNH) by inhibiting the complement factor B.[A262566] Factor B is a positive regulator of the alternative complement pathway, where it acti... |
Categories: Acids, Carbocyclic Antineoplastic and Immunomodulating Agents Benzene Derivatives Complement Factor B Inhibitor Complement Inactivating Agents Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 Substrates Heterocyclic Compounds, Fused-Ring Immunosuppressive Agents UGT1A1 Substrates UGT1A3 substrates
Cross-references: BindingDB: 160475 CHEMBL4594448 ChemSpider: 75533872 Drugs Product Database (DPD): 24049 PDB: JGQ RxCUI: 2671061 Wikipedia: Iptacopan ZINC: ZINC000223246892
Target Activities (2)
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02763 | P02763 | Alpha-1-acid glycoprotein 1 | binder | carriers |
| P02768 | ALB | Albumin | binder | carriers |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | substrate | enzymes |
| P35503 | P35503 | UDP-glucuronosyltransferase 1A3 | substrate | enzymes |
| Q9HAW9 | Q9HAW9 | UDP-glucuronosyltransferase 1A8 | substrate | enzymes |
| P00751 | CFB | Complement factor B | inhibitor | targets |