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

General Information of Drug (ID: DR1211)
Drug Name
Oxamniquine
Synonyms
Oxaminiquine; Oxamniquina [INN-Spanish]; Oxamniquinum [INN-Latin]; UK 4261; UK 4271; UK-4271; Vansil; oxamniquine; 00BCY677OT; Mansil; 1,2,3,4-Tetrahydro-2-(((1-methylethyl)amino)methyl)-7-nitro-6-quinolinemethanol; 1,2,3,4-Tetrahydro-2-((isopropylamino)methyl)-7-nitro-6-quinolinemethanol; 21738-42-1; 6-Hydroxymethyl-2-isopropylaminomethyl-7-nitro-1,2,3,4-tetrahydroquinoline; 7GIJ138H3K; CCRIS 4113; CHEBI:78416; EINECS 244-556-4; HSDB 6510; MLS000756891; NSC 352888; UNII-00BCY677OT; UNII-7GIJ138H3K
Indication Schistosomiasis [ICD11: 1F86] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 279.33 Topological Polar Surface Area 90.1
Heavy Atom Count 20 Rotatable Bond Count 4
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
4612
PubChem SID
9548 ; 463879 ; 606338 ; 5396325 ; 7434785 ; 7847526 ; 7980212 ; 8152829 ; 11467054 ; 11468174 ; 11486808 ; 14799596 ; 22395920 ; 26665195 ; 29223701 ; 46508789 ; 48334689 ; 48416357 ; 50042967 ; 51780913 ; 57322349 ; 92126057 ; 103222043 ; 103914643 ; 104306910 ; 124799447 ; 126407963 ; 134222524 ; 134338262 ; 134994440 ; 137241860 ; 144204144 ; 160964430 ; 163077656 ; 178126512 ; 179149405 ; 223443758 ; 226429093 ; 241040351 ; 249935262
ChEBI ID
CHEBI:78416
CAS Number
21738-42-1
TTD Drug ID
D0P4MT
Formula
C14H21N3O3
Canonical SMILES
CC(C)NCC1CCC2=CC(=C(C=C2N1)[N+](=O)[O-])CO
InChI
1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3
InChIKey
XCGYUJZMCCFSRP-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
Oxamniquine metbolite M2 DM002326
54201445
Unclear 1 [3]
Oxamniquine metbolite M3 DM002327
165411938
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001863 Oxamniquine Oxamniquine metbolite M2 Unclear Unclear [3]
MR001864 Oxamniquine Oxamniquine metbolite M3 Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
References
1 Oxamniquine was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Inhibitory effects of antiparasitic drugs on cytochrome P450 2D6. Eur J Clin Pharmacol. 1995;48(1):35-8.
3 The metabolism of oxamniquine - a new schistosomicide Ann Trop Med Parasitol. 1976 Sep;70(3):323-8. doi: 10.1080/00034983.1976.11687128.

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