Details of the Drug

General Information of Drug (ID: DMYGHX5)

Drug Name
Moxidectin
Synonyms
Moxidectin; ProHeart 6; UNII-NGU5H31YO9; Cydectin; NGU5H31YO9; Moxidectine [INN-French]; Moxidectinum [INN-Latin]; Moxidectina [INN-Spanish]; C37H53NO8; Moxidectina; Moxidectine; Moxidectinum; Moxidectin [USAN:INN:BAN]
Indication
Disease Entry ICD 11 Status REF
Onchocerciasis 1F6A Approved [1]
River blindness 1F6A.0 Approved [2]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 639.8
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 9
ADMET Property
Bioavailability
The bioavailability of drug is 75% [3]
Clearance
The clearance of drug is 3.5 L/h [4]
Elimination
2% of the dose is eliminated unchanged in the feces within 72 hours []
Half-life
The concentration or amount of drug in body reduced by one-half in 20.2 days [5]
Metabolism
The drug is metabolized via the cytochrome P450 enzym CYP3A and CYP2B [5]
Vd
The volume of distribution (Vd) of drug is 1.2 L/kg [5]
Chemical Identifiers
Formula
C37H53NO8
IUPAC Name
(1R,4S,4'E,5'S,6R,6'S,8R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
Canonical SMILES
C[C@@H]\\1C/C(=C/C[C@@H]2C[C@@H](C[C@@]3(O2)C/C(=N\\OC)/[C@@H]([C@H](O3)/C(=C/C(C)C)/C)C)OC(=O)[C@@H]4C=C([C@H]([C@@H]5[C@]4(/C(=C/C=C1)/CO5)O)O)C)/C
InChI
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
Cross-matching ID
PubChem CID
9832912
CAS Number
113507-06-5
TTD ID
D05AWP
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Gamma-aminobutyric acid receptor (GAR) TTNJYV2 NOUNIPROTAC Modulator [2]
Onchocerca Glutamate-gated chloride channel (Onchoc GluCl) TTSNVHO Q25634_ONCVO Modulator [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
ATP-dependent translocase ABCB1 (ABCB1) OTEJROBO MDR1_HUMAN Gene/Protein Processing [6]
Broad substrate specificity ATP-binding cassette transporter ABCG2 (ABCG2) OTW8V2V1 ABCG2_HUMAN Regulation of Drug Effects [7]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 FDA Approved Drug Products from FDA Official Website. 2018. Application Number: (ANDA) 210867.
2 2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89.
3 Clinical pharmacokinetics of amfetamine and related substances: monitoring in conventional and non-conventional matrices. Clin Pharmacokinet. 2004;43(3):157-85. doi: 10.2165/00003088-200443030-00002.
4 Korth-Bradley JM, Parks V, Chalon S, Gourley I, Matschke K, Gossart S, Bryson P, Fleckenstein L: Excretion of moxidectin into breast milk and pharmacokinetics in healthy lactating women. Antimicrob Agents Chemother. 2011 Nov;55(11):5200-4. doi: 10.1128/AAC.00311-11. Epub 2011 Sep 6.
5 Moxidectin and the avermectins: Consanguinity but not identity. Int J Parasitol Drugs Drug Resist. 2012 Apr 14;2:134-53. doi: 10.1016/j.ijpddr.2012.04.001. eCollection 2012 Dec.
6 Reversal effects of two new milbemycin compounds on multidrug resistance in MCF-7/adr cells in vitro. Eur J Pharmacol. 2011 Jun 1;659(2-3):108-13. doi: 10.1016/j.ejphar.2011.03.023. Epub 2011 Mar 31.
7 In vitro and in vivo interaction of moxidectin with BCRP/ABCG2. Chem Biol Interact. 2009 Jun 15;180(1):106-12. doi: 10.1016/j.cbi.2009.02.009. Epub 2009 Feb 23.