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

General Information of Drug (ID: DR2473)
Drug Name
Nafronyl oxalate
Synonyms
Nafronyl oxalate; Nafronyl oxalate salt; Naftidrofuryl (oxalate); Naftidrofuryl oxalate; Praxilene; Dubimax; Dusodril; EU-1806; Iridus; LS 121; LS-121; naftidrofuryl hydrogen oxalate; 2-(Diethylamino)ethyl 3-(naphthalen-1-yl)-2-((tetrahydrofuran-2-yl)methyl)propanoate oxalate; CAS-3200-06-4; CHEMBL1439099; DSSTox_CID_25533; DSSTox_GSID_45533; DSSTox_RID_80935; NSC225233; Nafronyl oxalate salt, analytical standard; SMR000539007; alpha-[1-Naphthylmethyl]-2-tetrahydrofuranpropionic acid diethylaminoethyl ester
Indication Arteriosclerosis obliterans [ICD11: BD40] Phase 4 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 473.6 Topological Polar Surface Area 113
Heavy Atom Count 34 Rotatable Bond Count 12
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
312915
CAS Number
3200-06-4
TTD Drug ID
D07YWY
Formula
C26H35NO7
Canonical SMILES
CCN(CC)CCOC(=O)C(CC1CCCO1)CC2=CC=CC3=CC=CC=C32.C(=O)(C(=O)O)O
InChI
1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3
InChIKey
SSAJNPNVUYMUCI-UHFFFAOYSA-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
Naftidrofuryl acid DM002701 N. A. Unclear 1 [3]
Nafronyl oxalate metabolite M3,Nafronyl oxalate metabolite M4 DM002702 N. A. Unclear 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001716 Nafronyl oxalate Naftidrofuryl acid Unclear Unclear [3]
MR001715 Naftidrofuryl acid Nafronyl oxalate metabolite M3,Nafronyl oxalate metabolite M4 Unclear 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) DME1251 Bacteroides fragilis Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1256 Bacteroides sartorii Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1384 Bacteroides vulgatus Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1391 Bifidobacterium ruminatum Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1393 Blautia hansenii Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1444 Odoribacter splanchnicus Not Available Not Available [2]
⏷ Show the Full List of 6  DME(s)
References
1 National Center for Advancing Translational Science-Inxight: drug (42H8PQ0NMJ)
2 Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467.
3 Structure identification and elucidation of mosapride metabolites in human urine, feces and plasma by ultra performance liquid chromatography-tandem mass spectrometry method Xenobiotica. 2014 Aug;44(8):734-42. doi: 10.3109/00498254.2014.880201.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.