Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5697)
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 Lupus erythematosus [ICD11: 4A40] Approved [1]
Psoriasis vulgaris [ICD11: ICD11: EA90] Phase 3 [2]
Kidney disease [ICD11: ICD11: GC2Z] Phase 2 [3]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 1214.6 Topological Polar Surface Area 279
Heavy Atom Count 86 Rotatable Bond Count 16
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 12
Cross-matching ID
PubChem CID
6918486
ChEBI ID
CHEBI:135957
CAS Number
515814-00-3
TTD Drug ID
D0L9HX
Formula
C63H111N11O12
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
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Voclosporin M1 PDM013321 N. A. Hydrolysis - Hydrolysis of cyclic secondary carboxamide 1 Human
Voclosporin M10 PDM013330 N. A. Hydrolysis - Hydrolysis of cyclic tertiary carboxamide 1 Human
Voclosporin M11 PDM013331 N. A. Hydrolysis - Hydrolysis of cyclic tertiary carboxamide 1 Human
Voclosporin M12 PDM013332 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Voclosporin M13 PDM013333 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Voclosporin M2 PDM013322 N. A. Hydrolysis - Hydrolysis of cyclic secondary carboxamide 1 Human
Voclosporin M3 PDM013323 N. A. Hydrolysis - Hydrolysis of cyclic secondary carboxamide 1 Human
Voclosporin M4 PDM013324 N. A. Hydrolysis - Hydrolysis of cyclic secondary carboxamide 1 Human
Voclosporin M5 PDM013325 N. A. Hydrolysis - Hydrolysis of cyclic tertiary carboxamide 1 Human
Voclosporin M6 PDM013326 N. A. Hydrolysis - Hydrolysis of cyclic tertiary carboxamide 1 Human
Voclosporin M7 PDM013327 N. A. Hydrolysis - Hydrolysis of cyclic tertiary carboxamide 1 Human
Voclosporin M8 PDM013328 N. A. Hydrolysis - Hydrolysis of cyclic tertiary carboxamide 1 Human
Voclosporin M9 PDM013329 N. A. Hydrolysis - Hydrolysis of cyclic tertiary carboxamide 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[4]
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 Emerging drugs for psoriasis. Expert Opin Emerg Drugs. 2009 Mar;14(1):145-63.
4 PubChem:Voclosporin

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