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

General Information of Drug (ID: DR1116)
Drug Name
Moxidectin
Synonyms
Moxidectin; Moxidectin [USAN:INN:BAN]; Moxidectina; Moxidectina [INN-Spanish]; Moxidectine; Moxidectine [INN-French]; Moxidectinum; Moxidectinum [INN-Latin]; NGU5H31YO9; ProHeart 6; Cydectin; (6R,25S)-5-O-Demethyl-28-deoxy-25-((E)-1,3-dimethyl-1-butenyl)-6,28-epoxy-23-oxomilbemycin B 23-(E)-(O-methyloxime); 113507-06-5; C37H53NO8; UNII-NGU5H31YO9
Indication Onchocerciasis [ICD11: 1F6A] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 639.8 Topological Polar Surface Area 116
Heavy Atom Count 46 Rotatable Bond Count 3
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
9832912
CAS Number
113507-06-5
TTD Drug ID
D01ORS
Formula
C37H53NO8
Canonical SMILES
CC1CC(=CCC2CC(CC3(O2)CC(=NOC)C(C(O3)C(=CC(C)C)C)C)OC(=O)C4C=C(C(C5C4(C(=CC=C1)CO5)O)O)C)C
InChI
1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+/t22-,26-,28+,29-,30-,32+,33+,34+,36-,37+/m0/s1
InChIKey
YZBLFMPOMVTDJY-LSGXYNIPSA-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
Monohydroxy metabolite of moxidectin at C29 DM004481 N. A. Oxidation - Hydrolyzationn 1 [2]
Monohydroxy metabolite of moxidectin at the C14 DM004482
137528209
Oxidation - Hydrolyzationn 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004809 Moxidectin Monohydroxy metabolite of moxidectin at C29 Oxidation - Hydrolyzationn CYP2A6 ... [2]
MR004810 Moxidectin Monohydroxy metabolite of moxidectin at the C14 Oxidation - Hydrolyzationn CYP2A6 ... [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2A6 (CYP2A6) DME0005 Homo sapiens
CP2A6_HUMAN
1.14.14.1
[2]
Cytochrome P450 2B6 (CYP2B6) DME0020 Homo sapiens
CP2B6_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A (CYP3A) DMEN065 . Not Available Not Available [2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
References
1 Moxidectin was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Moxidectin and the avermectins: Consanguinity but not identity
3 In vitro metabolism of 14C-moxidectin by hepatic microsomes from various species. Vet Res Commun. 2001 Jul;25(5):345-54.

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