Voclosporin
IC50 human AChE 0.004 +/- 0.0002 microM. Surprising for a large peptide compound || Voclosporin is a homodetic cyclic peptide a semi-synthetic cyclosporine A analog. Voclosporin Calcineurin Inhibitor Immunosuppressant, P-Glycoprotein Inhibitor, and Organic Anion Transporting Polypeptide 1B1 Inhibitor, and Organic Anion Transporting Polypeptide 1B3 Inhibitor. A medication used to treat lupus nephritis (LN) in patients suffering from lupus
General
Chemical_Nomenclature : (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
Canonical SMILES : CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C\/C=C\/C=C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
InChI : InChI=1S\/C63H111N11O12\/c1-25-27-28-29-41(15)53(76)52-57(80)66-44(26-2)59(82)68(18)34-49(75)69(19)45(30-35(3)4)56(79)67-50(39(11)12)62(85)70(20)46(31-36(5)6)55(78)64-42(16)54(77)65-43(17)58(81)71(21)47(32-37(7)8)60(83)72(22)48(33-38(9)10)61(84)73(23)51(40(13)14)63(86)74(52)24\/h25,27-28,35-48,50-53,76H,1,26,29-34H2,2-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)\/b28-27+\/t41-,42+,43-,44+,45+,46+,47+,48+,50+,51+,52+,53-\/m1\/s
InChIKey : BICRTLVBTLFLRD-PTWUADNWSA-N
Other name(s) : Lupkynis || ISATX247 || ISA-247 || ISAtx-247 || ISA247 || Voclosporine || DB11693 || CHEMBL5314379 || SCHEMBL12632344 || CHEBI:135957
MW : 1214.6
Formula : C63H111N11O12
CAS_number : 515814-01-4
PubChem : 6918486
UniChem : BICRTLVBTLFLRD-PTWUADNWSA-N
Target
Families : Voclosporin ligand of proteins in family
ACHE
Protein :
human-ACHE
References (1)
| Title : Evaluating the Neuroprotective and Acetylcholinesterase Inhibitory Properties of Four Calcineurin Inhibitor Drugs: Tacrolimus, Pimecrolimus, Cyclosporin A, and Voclosporin - Kocanci_2025_Mol.Neurobiol__ |
| Author(s) : Kocanci FG , Sarban HE , Yildiz F |
| Ref : Molecular Neurobiology , : , 2025 |
| Abstract : |
| PubMedSearch : Kocanci_2025_Mol.Neurobiol__ |
| PubMedID: 40952625 |