Alisporivir
(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-25,30-diethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,27,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
Molecular Identity
Alisporivir
(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-25,30-diethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,27,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
PubChem CID: 11513676
Alisporivir is a homodetic cyclic peptide. It has a role as an anticoronaviral agent.
2D Structure
Properties
C63H113N11O12
Molecular Formula
1216.60
Molecular Weight
g/mol
1215.8570
Exact Mass
Da
7.9
XLogP
Above Lipinski threshold
279
TPSA
May have limited oral absorption
5
H-Bond Donors
12
H-Bond Acceptors
2360
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Alisporivir254435-95-5Debio-025UNIL-025Debio 025UNIL025UNIL 025DEB025DEB-025VBP9099AA6MeAla(3)EtVal(4)-cyclosporinDEBIO025(d-meala)3-(etval)4-csaDTXSID401027752Cyclo(L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-(2S,3R,4R,6E)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl-(2S)-2-aminobutanoyl-N-methyl-D-alanyl-N-ethyl-L-valyl-L-valyl-N-methyl-L-leucyl)
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Alisporivir
Loading drug network...