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

General Information of Drug (ID: DR2310)
Drug Name
ENT-50146
Synonyms
Adelfan; Adelphin; Alkarau; Reserpine; Alkaserp; Alserin; Apoplon; Apoplon (TN); Apsical; Ascoserp; Ascoserpina; Austrapine; Banasil; Banisil; Benazyl; Bioserpine; Brinderdin; Briserine; Broserpine; Cam-Ap-Es; Cardioserpin; Carditivo; Carpacil; Carrserp; Darebon; Deserpine; Diupres 250; Diupres 500; Diupres-250; Diupres-500; Diurese-R; Diutensen-R; Dralserp; ENT 50146; Eberpine; Eberspine; Ebserpine; Elfanex; Elserpine; Enipresser; Esc aspere; Escaspere; Eserpine; Eskaserp; Eskaserpine; Gammaserpine; Gilucard; HYDRO-RESERP; Helfoserpin; Hexaplin; Hiposerpil; Hiserpia; Hydrap-ES; Hydromox R; Hydromox-R; Hydropine; Hydropres 25; Hydropres 50; Hydroserp; Hydrosine 25; Hypercal B; Hypersil; Hypersine; Hypertensan; Idoserp; Idsoserp; Interpina; Key-serpine; Kitine; Klimanosid; L"-Carpserp; L-Carpserp; Lemiserp; Loweser p; Loweserp; Mallopress; Maviserpin; Mayserpine; Mephaserpin; Modenol; Naquival; Nembuserpin; Neo-serp; Neose rfin; Neoserfin; Neoserp; Neoslowten; Orthoserpina; Perskleran; Pressimedin; Purserpine; Quiescin; R 0875; Rau sedyl; Rau-Sed; Raucap; Raudiford; Raudixin; Raudixoid; Raugal; Raulen; Rauloydin; Raumorine; Raunervil; Raunorine; Raunova; Raupasil; Raupoid; Raurine; Rausan; Rausedan; Rausedil; Rausedyl; Rauserpin; Rauserpine; Rauserpol; Rausingle; Rautrin; Rauvlid; Rauwasedin; Rauwilid; Rauwiloid; Rauwipur; Rauwita; Rauwoleaf; Rawilid; Recipin; Regroton; Renese R; Renese-R; Resaltex; Rese rpamed; Rese-lar; Resedrex; Resedril; Reser-ar; Reserbal; Resercaps; Resercen; Reserfia; Reserjen; Reserlor; Reserp; Reserpal; Reserpamed; Reserpanca; Reserpene; Reserpex; Reserpidefe; Reserpil; Reserpin; Reserpina; Reserpinum; Reserpka; Reserpoid; Reserpur; Reserutin; Resiatric; Residin; Residine; Resine; Resocalm; Resperin; Resperine; Respital; Restran; Rezerpin; Riserpa; Rivased; Rivasin; Rolserp; Roxinoid; Roxynoid; SK-Reserpine; Salupres; Sandril; Sandron; Se rpate; Sedaraupin; Sedaraupina; Sederaupin; Sedserp; Seominal; Ser-A-Gen; Serfin; Serfolia; Serolfia; Serpalan; Serpaloid; Serpaneurona; Serpanray; Serpasil; Serpasol; Serpate; Serpazil; Serpazol; Serpedin; Serpen; Serpena; Serpentil; Serpentin; Serpentina; Serpicon; Serpil; Serpiloid; Serpilum; Serpine; Serpipur; Serpivate; Serpivite; Serpogen; Serpoid; Serpone; Serpyrit; Sertabs; Sertens; Sertensin; Sertina; Supergan; T-Serp; Tefaserpina; Temposerpine; Tensanyl; Tenserpinie; Tensional; Tensionorme; Tepserpine; Terbolan; Transerpin; Triserpin; Tylandril; Unilord; Unipres; Usaf cb-27; V Serp; V-Serp; Vio-Serpine; 3P Reserp; Abesta; Abicol; H 520; R-e-s; Roxel; Ryser; VI XO; VIXO
Indication Cocaine addiction [ICD11: 6C45] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 608.7 Topological Polar Surface Area 118
Heavy Atom Count 44 Rotatable Bond Count 10
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
5770
PubChem SID
8769 ; 107574 ; 134033 ; 623918 ; 3134366 ; 7847265 ; 8138322 ; 8149518 ; 8153544 ; 10321248 ; 11335187 ; 11360426 ; 11362963 ; 11365525 ; 11368087 ; 11371907 ; 11374535 ; 11376249 ; 11408836 ; 11461398 ; 11466903 ; 11468023 ; 11486606 ; 11490709 ; 11492803 ; 11493923 ; 11528314 ; 14887357 ; 16543090 ; 17389743 ; 17404636 ; 24278208 ; 24888118 ; 25622640 ; 26611910 ; 26697044 ; 26752948 ; 29224805 ; 46505863 ; 47213181 ; 47440061 ; 47810577 ; 47885233 ; 47959555 ; 47959556 ; 47959557 ; 48110277 ; 48334297 ; 48334298 ; 48414422
ChEBI ID
ChEBI:28487
CAS Number
50-55-5
TTD Drug ID
D0J4JM
Formula
C33H40N2O9
Canonical SMILES
COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
InChI
1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
InChIKey
QEVHRUUCFGRFIF-MDEJGZGSSA-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
Methylreserpate DM006860
73532
Hydrolysis - Hydrolyzation 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007447 ENT-50146 Methylreserpate Hydrolysis - Hydrolyzation Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Unclear metabolic mechanism (DME-unclear) DME1361 Anaerotruncus colihominis Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1362 Bacteroides caccae Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1365 Bacteroides dorei Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1384 Bacteroides vulgatus Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1399 Enterocloster asparagiformis Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1400 Enterocloster bolteae Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1402 Clostridium botulinum Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1432 Hungatella hathewayi Not Available Not Available [2]
⏷ Show the Full List of 8  DME(s)
References
1 ClinicalTrials.gov (NCT00033033) Reserpine for the Treatment of Cocaine Dependence - 1
2 Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467.
3 Studies on absorption, excretion, and metabolism of 3H-reserpine in man

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