Details of the Drug

General Information of Drug (ID: DMFCLYW)

Drug Name
Moxisylyte
Synonyms Thymoxamine
Indication
Disease Entry ICD 11 Status REF
Erectile dysfunction HA01.1 Approved [1]
Raynaud disease BD42.0 Approved [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 279.37
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
ADMET Property
Bioavailability
The bioavailability of drug is 37% [3]
Clearance
The clearance of drug is 7.17 mL/min/kg for beagle dogs [4]
Elimination
The complete elimination of all the metabolites by urine is of 75% when administered intravenously and 69% when administered orally [5]
Half-life
The concentration or amount of drug in body reduced by one-half in 1 - 2 hours [5]
Metabolism
The drug is metabolized via pseudocholinesterase in plasma and tissues to give the major metabolite deacetyl-thymoxamine [4]
Vd
The volume of distribution (Vd) of drug is 0.83-0.98 L/kg [4]
Chemical Identifiers
Formula
C16H25NO3
IUPAC Name
[4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] acetate
Canonical SMILES
CC1=CC(=C(C=C1OC(=O)C)C(C)C)OCCN(C)C
InChI
InChI=1S/C16H25NO3/c1-11(2)14-10-15(20-13(4)18)12(3)9-16(14)19-8-7-17(5)6/h9-11H,7-8H2,1-6H3
InChIKey
VRYMTAVOXVTQEF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4260
ChEBI ID
CHEBI:94754
CAS Number
54-32-0
DrugBank ID
DB09205
TTD ID
D0A7QN
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adrenergic receptor alpha-1D (ADRA1D) TT34BHT ADA1D_HUMAN Modulator [6]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Acetylcholinesterase (ACHE) OT2H8HG6 ACES_HUMAN Gene/Protein Processing [7]
Angiotensin-converting enzyme 2 (ACE2) OTTRZGU7 ACE2_HUMAN Gene/Protein Processing [8]
Transmembrane protease serine 2 (TMPRSS2) OTN44YQ5 TMPS2_HUMAN Gene/Protein Processing [8]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Raynaud disease. J Hand Surg Am. 2014 Jan;39(1):121-4.
3 Fohner AE, Sparreboom A, Altman RB, Klein TE: PharmGKB summary: Macrolide antibiotic pathway, pharmacokinetics/pharmacodynamics. Pharmacogenet Genomics. 2017 Apr;27(4):164-167. doi: 10.1097/FPC.0000000000000270.
4 Jstage
5 Opilon monograph
6 Pharmacokinetics of moxisylyte in healthy volunteers after intracavernous injection of increasing doses. Eur J Clin Pharmacol. 1996;49(5):411-5.
7 Profiling the Tox21 Chemical Collection for Acetylcholinesterase Inhibition. Environ Health Perspect. 2021 Apr;129(4):47008. doi: 10.1289/EHP6993. Epub 2021 Apr 12.
8 Effect of common medications on the expression of SARS-CoV-2 entry receptors in liver tissue. Arch Toxicol. 2020 Dec;94(12):4037-4041. doi: 10.1007/s00204-020-02869-1. Epub 2020 Aug 17.