Voclosporin
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhepta-4,6-dienyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(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
Voclosporin
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(1R,2R,4E)-1-hydroxy-2-methylhepta-4,6-dienyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(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: 6918486
Voclosporin is a homodetic cyclic peptide.
2D Structure
Properties
C63H111N11O12
Molecular Formula
1214.60
Molecular Weight
g/mol
1213.8414
Exact Mass
Da
7.9
XLogP
Above Lipinski threshold
279
TPSA
May have limited oral absorption
5
H-Bond Donors
12
H-Bond Acceptors
2380
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Voclosporin515814-01-4LupkynisISATX247ISA-247ISAtx-247ISA247VoclosporineLX211LX-211voclosporinaR 1524ISA(TX)2472PN063X6B1DTXSID401030488
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Voclosporin
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