Details of the Drug

General Information of Drug (ID: DMJE6KO)

Drug Name
Desvenalfaxine succinate
Synonyms
386750-22-7; Desvenlafaxine succinate monohydrate; Desvenlafaxine (succinate hydrate); Desvenlafaxine succinate hydrate; Desvenlafaxine Succinate [USAN]; Desvenlafaxine succinate (USAN); O-desmethylvenlafaxine Succinate Monohydrate; Desvenlafaxine Succinate Monohydrate (O-Desmethylvenlafaxine Succinate Monohydrate); Pristiq (TN); AC1OCFPN; Desvenlafaxine(succinatehydrate); SCHEMBL1278407; CTK8E8387; HY-B0602A; MolPort-021-783-032
Indication
Disease Entry ICD 11 Status REF
Fibromyalgia MG30.01 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 399.5
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 7
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 8
Chemical Identifiers
Formula
C20H33NO7
IUPAC Name
butanedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate
Canonical SMILES
CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(CC(=O)O)C(=O)O.O
InChI
InChI=1S/C16H25NO2.C4H6O4.H2O/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H2,(H,5,6)(H,7,8);1H2
InChIKey
PWPDEXVGKDEKTE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6918664
CAS Number
386750-22-7
TTD ID
D03CEF
VARIDT ID
DR01094
INTEDE ID
DR0444

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Norepinephrine transporter (NET) TTAWNKZ SC6A2_HUMAN Inhibitor [1]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Substrate [2]
Cytochrome P450 2D6 (CYP2D6) DECB0K3 CP2D6_HUMAN Substrate [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Fibromyalgia
ICD Disease Classification MG30.01
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Norepinephrine transporter (NET) DTT SLC6A2 7.05E-01 7.02E-03 0.07
Cytochrome P450 2D6 (CYP2D6) DME CYP2D6 5.64E-01 2.36E-02 1.75E-01
Cytochrome P450 3A4 (CYP3A4) DME CYP3A4 6.06E-01 -2.42E-02 -1.64E-01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Emerging therapies for fibromyalgia. Expert Opin Emerg Drugs. 2008 Mar;13(1):53-62.
2 Desvenlafaxine in the treatment of major depressive disorder. Expert Opin Pharmacother. 2011 Dec;12(18):2923-8.
3 Effect of the CYP2D6*10 genotype on venlafaxine pharmacokinetics in healthy adult volunteers. Br J Clin Pharmacol. 1999 Apr;47(4):450-3.