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

General Information of Drug (ID: DR0142)
Drug Name
Artenimol
Synonyms
Artenimol; Dihydroartemisinin; Dihydroartemisinine; Dihydroqinghaosu; Dihydroquinghaosu; LS-64240; Tox21_111488; 3,12-Epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-ol, decahydro-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,10S,12R,12aR)-; 3,12-Epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-ol, decahydro-3,6,9-trimethyl-, (3R-(3alpha,5abeta,6beta,8abeta,9alpha,10alpha,12beta,12aR*))-; AC1L32PY; AN-37521; DSSTox_CID_25962; DSSTox_GSID_45962; DSSTox_RID_81258; NCGC00095235-01; SCHEMBL16707214
Indication Malaria [ICD11: 1F40] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 284.35 Topological Polar Surface Area 57.2
Heavy Atom Count 20 Rotatable Bond Count 0
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
107770
PubChem SID
44436731 ; 49965289 ; 51153978 ; 57338240 ; 104379699 ; 119501594 ; 126684782 ; 144205041 ; 223679780
CAS Number
71939-50-9
TTD Drug ID
D0N6FH
Formula
C15H24O5
Canonical SMILES
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)O)C
InChI
1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11?,12+,13-,14?,15-/m1/s1
InChIKey
BJDCWCLMFKKGEE-KWWHLYHASA-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
Alpha-artenimol-beta-glucuronide DM001594 N. A. Conjugation - O-Glucuronidation 1 [3]
Artenimol metabolite D1,D2 DM001599 N. A. Unclear 1 [4]
Artenimol metabolite D10 DM001598 N. A. Unclear 1 [4]
Artenimol metabolite D11 DM001596 N. A. Unclear 1 [4]
Artenimol metabolite D12 DM001589 N. A. Unclear 1 [4]
Artenimol metabolite D3,D4 DM001597 N. A. Unclear 1 [4]
Artenimol metabolite D5,D6 DM001600 N. A. Unclear 1 [4]
Artenimol metabolite D7-D9 DM001595 N. A. Unclear 1 [4]
Artenimol metabolite D13 DM001590 N. A. Unclear 2 [4]
Artenimol metabolite D14 DM001591 N. A. Unclear 2 [4]
Artenimol metabolite D15-D17 DM001593 N. A. Unclear 2 [5]
Artenimol metabolite D18 DM001592 N. A. Unclear 2 [4]
⏷ Show the Full List of 12  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000307 Artenimol Artenimol metabolite D12 Unclear Unclear [4]
MR000308 Artenimol Alpha-artenimol-beta-glucuronide Conjugation - O-Glucuronidation UGT1A9 ... [3]
MR000309 Artenimol Artenimol metabolite D7-D9 Unclear Unclear [4]
MR000310 Artenimol Artenimol metabolite D11 Unclear Unclear [4]
MR000311 Artenimol Artenimol metabolite D3,D4 Unclear Unclear [4]
MR000312 Artenimol Artenimol metabolite D10 Unclear Unclear [4]
MR000313 Artenimol Artenimol metabolite D1,D2 Unclear Unclear [4]
MR000314 Artenimol Artenimol metabolite D5,D6 Unclear Unclear [4]
MR000303 Artenimol metabolite D12 Artenimol metabolite D13 Unclear Unclear [4]
MR000304 Artenimol metabolite D12 Artenimol metabolite D14 Unclear Unclear [4]
MR000305 Artenimol metabolite D12 Artenimol metabolite D18 Unclear Unclear [4]
MR000306 Artenimol metabolite D12 Artenimol metabolite D15-D17 Unclear Unclear [5]
⏷ Show the Full List of 12 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 1A9 (UGT1A9) DME0042 Homo sapiens
UD19_HUMAN
2.4.1.17
[2]
UDP-glucuronosyltransferase 2B7 (UGT2B7) DME0040 Homo sapiens
UD2B7_HUMAN
2.4.1.17
[2]
References
1 ClinicalTrials.gov (NCT04245033) Evaluation of the Implementation and Effectiveness of Intermittent Preventive Treatment for Malaria Using Dihydroartemisinin-piperaquine on Reducing Malaria Burden in School Aged Children in Tanzania.
2 Eurartesim - European Medicines Agency
3 DrugBank(Pharmacology-Metabolism)Artenimol
4 Antimalarial activity and metabolism of dihydroartemisinin-derived dimer Parasitol Res. 2018 Jul;117(7):2243-2254. doi: 10.1007/s00436-018-5911-x.
5 U. S. FDA Label - Artenimol

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