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

General Information of Drug (ID: DR1549)
Drug Name
Tenapanor
Synonyms
Tenapanor; Tenapanor [USAN:INN]; WYD79216A6; 1234423-95-0; 3-((S)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)-N-(26-((3-((S)-6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenyl)sulfonamido)-10,17-dioxo-3,6,21,24-tetraoxa-9,11,16,18-tetraazahexacosyl)benzenesulfonamide; Ibsrela; RDX 5791; RDX-5791; RDX5791; AZD 1722; AZD-1722; AZD1722; CHEMBL3304485; DTXSID40154016; EX-A2506; GTPL8449; SCHEMBL15267600; UNII-WYD79216A6
Indication Hyperphosphatemia [ICD11: 5C64] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 1145 Topological Polar Surface Area 235
Heavy Atom Count 74 Rotatable Bond Count 29
Hydrogen Bond Donor Count 6 Hydrogen Bond Acceptor Count 14
Cross-matching ID
PubChem CID
71587953
PubChem SID
163643268 ; 198966338 ; 240221763 ; 242654674 ; 252166659
CAS Number
1234423-95-0
TTD Drug ID
D04TQO
Formula
C50H66Cl4N8O10S2
Canonical SMILES
CN1CC(C2=C(C1)C(=CC(=C2)Cl)Cl)C3=CC(=CC=C3)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)C4=CC=CC(=C4)C5CN(CC6=C5C=C(C=C6Cl)Cl)C
InChI
1S/C50H66Cl4N8O10S2/c1-61-31-43(41-27-37(51)29-47(53)45(41)33-61)35-7-5-9-39(25-35)73(65,66)59-15-19-71-23-21-69-17-13-57-49(63)55-11-3-4-12-56-50(64)58-14-18-70-22-24-72-20-16-60-74(67,68)40-10-6-8-36(26-40)44-32-62(2)34-46-42(44)28-38(52)30-48(46)54/h5-10,25-30,43-44,59-60H,3-4,11-24,31-34H2,1-2H3,(H2,55,57,63)(H2,56,58,64)/t43-,44-/m0/s1
InChIKey
DNHPDWGIXIMXSA-CXNSMIOJSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Tenapanor metabolite M1 DM000492 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR002391 Tenapanor Tenapanor metabolite M1 Unclear CYP3A4 ... [3]
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
[2]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[2]
References
1 Tenapanor was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 FDA label of Tenapanor. The 2020 official website of the U.S. Food and Drug Administration.
3 LABEL:BSRELA- tenapanor hydrochloride tablet

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