API reference
Ledipasvir
- CAS number
- 1256388-51-8
- Molecular formula
- C49H54F2N8O6
- Molecular weight
- 889 g/mol
About this molecule
Ledipasvir is an orally available inhibitor of the hepatitis C virus (HCV) non-structural protein 5A (NS5A) replication complex, with potential activity against HCV. Upon oral administration and after intracellular uptake, ledipasvir binds to and blocks the activity of the NS5A protein. This results in the disruption of the viral RNA replication complex, blockage of HCV RNA production, and inhibition of viral replication. NS5A, a zinc-binding and proline-rich hydrophilic phosphoprotein, plays a crucial role in HCV RNA replication. HCV is a small, enveloped, single-stranded RNA virus belonging to the Flaviviridae family; HCV infection is associated with the development of hepatocellular carcinoma (HCC).
Source: NCI Thesaurus (NCIt), via PubChem.
Identifiers
- IUPAC name
- methyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate
- InChIKey
- VRTWBAAJJOHBQU-KMWAZVGDSA-N
- SMILES
- CC(C)[C@@H](C(=O)N1CC2(CC2)C[C@H]1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)C7=CC8=C(C=C7)N=C(N8)[C@@H]9[C@H]1CC[C@H](C1)N9C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC
- PubChem CID
- 67505836
Also known as
Ledipasvir · HARVONI COMPONENT LEDIPASVIR · ledipasvirum · Ledipasvir acetonate · Ledipasvir? · Ledipasvir (USAN/INN) · EX-A411 · Harvoni (ledipasvir + sofosbuvir)
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