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]
Affected Organisms
Humans and other mammals
ATC Code
C04AX10: Moxisylyte
C04AX: Other peripheral vasodilators
C04A: PERIPHERAL VASODILATORS
C04: PERIPHERAL VASODILATORS
C: CARDIOVASCULAR SYSTEM
G04BE06: Moxisylyte
G04BE: Drugs used in erectile dysfunction
G04B: UROLOGICALS
G04: UROLOGICALS
G: GENITO URINARY SYSTEM AND SEX HORMONES
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
CHEMBL159226
CAS Number
54-32-0
UNII
PW8QYA7KI0
DrugBank ID
DB09205
TTD ID
D0A7QN
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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]
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.