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]
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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]

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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.