Details of the Drug

General Information of Drug (ID: DMWIJTN)

• Drug Name: Voclosporin
• Synonyms: Luveniq; ISAtx-247; ISA-247; UNII-2PN063X6B1; ISATX247; 515814-01-4; ISA247; 2PN063X6B1; ISA 247; trans-ISA-247; LX211; Voclosporin (USAN/INN); Voclosporin [USAN:INN]; Voclera; 3odi; LX-211; LX-214; ISA247, Luveniq; AC1OCFHS; R-1524; SCHEMBL12632344; CHEBI:135957; (E)-ISA-247; DB11693; 515814-00-3; HY-106638; CS-0026210; D09033; Cyclosporin A, 6-((2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)-6,8-nonadienoic acid)-; 368455-04-3; Luveniq; Voclosporin [USAN]; R 1524; Trans-ISA 247; Trans-ISA-247; TrkA-IgG

Indication

Disease Entry	ICD 11	Status	REF
Lupus nephritis	4A40.0Y	Approved	[1]
Psoriasis vulgaris	EA90	Phase 3	[2]
Kidney disease	GC2Z	Phase 2	[2]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight (mw); 1214.6
  Logarithm of the Partition Coefficient (xlogp); 7.9
  Rotatable Bond Count (rotbonds); 16
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 12
• ADMET Property:
  Absorption AUC: The area under the plot of plasma concentration (AUC) of drug is 7693.6 mcgh/L [3]
  Absorption Cmax: The maximum plasma concentration (Cmax) of drug is 955.5 mcg/L [3]
  Absorption Tmax: The time to maximum plasma concentration (Tmax) is 1.5 h [3]
  Clearance: The clearance of drug is 63.6 L/h [3]
  Elimination: About 88% of drug is eliminated via the feces and about 2% eliminated via the urine [4]
  Half-life: The concentration or amount of drug in body reduced by one-half in 30 hours [3]
  Metabolism: The drug is metabolized via the CYP3A4 hepatic cytochrome enzyme [3]
  Vd: The volume of distribution (Vd) of drug is 2,154 L [3]
• Chemical Identifiers:
  Formula: C63H111N11O12
  IUPAC Name: (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/s1
  InChIKey: BICRTLVBTLFLRD-PTWUADNWSA-N
• Cross-matching ID:
  PubChem CID: 6918486
  ChEBI ID: CHEBI:135957
  CAS Number: 515814-00-3
  DrugBank ID: DB11693
  TTD ID: D0L9HX
• Repurposed Drugs (RPD): Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcineurin (PPP3CA)	TTA4LDE	PP2BA_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Lupus nephritis
• ICD Disease Classification: 4A40.0Y

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Calcineurin (PPP3CA)	DTT	PPP3CA	5.29E-01	1.74E-03	9.99E-03

References

• [1] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2021
• [2] Emerging drugs for psoriasis. Expert Opin Emerg Drugs. 2009 Mar;14(1):145-63.
• [3] FDA Approved Products: LUPKYNIS (voclosporin) capsules, for oral use
• [4] EMA Assessment Report: Luveniq (voclosporin) oral capsules