Details of the Drug

General Information of Drug (ID: DMJKROX)

Drug Name
Luvox
Synonyms
FLUVOXAMINE MALEATE; 61718-82-9; Fevarin; Luvox CR; Fluvoxamine (maleate); UNII-5LGN83G74V; DU23000; DU-23000; SME 3110; 5LGN83G74V; MK-264; 54739-18-3; 5-Methoxy-4'-trifluoromethylvalerophenone (E)-O-2-aminoethyloxime monomaleate; 5-Methoxy-4'-(trifluoromethyl)valerophenone (E)-O-(2-aminoethyl)oxime, maleate (1:1); 54739-20-7; 1-Pentanone, 5-methoxy-1-(4-(trifluoromethyl)phenyl)-, O-(2-aminoethyl)oxime, (E)-, (Z)-2-butenedioate (1:1); C19H25F3N2O6
Indication
Disease Entry ICD 11 Status REF
Anxiety disorder 6B00-6B0Z Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
2		 Molecular Weight 434.4
Topological Polar Surface Area Not Available
Rotatable Bond Count 11
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 11
ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [2]
Clearance
The drug present in the plasma can be removed from the body at the rate of 31.95 mL/min/kg [3]
Elimination
2% of drug is excreted from urine in the unchanged form [2]
Half-life
The concentration or amount of drug in body reduced by one-half in 12.5 hours [3]
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 13.4627 micromolar/kg/day [4]
Unbound Fraction
The unbound fraction of drug in plasma is 0.2% [3]
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 23.5 L/kg [3]
Water Solubility
The ability of drug to dissolve in water is measured as 14.869 mg/mL [2]
Chemical Identifiers
Formula
C19H25F3N2O6
IUPAC Name
(Z)-but-2-enedioic acid;2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
Canonical SMILES
COCCCC/C(=N\\OCCN)/C1=CC=C(C=C1)C(F)(F)F.C(=C\\C(=O)O)\\C(=O)O
InChI
InChI=1S/C15H21F3N2O2.C4H4O4/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18;5-3(6)1-2-4(7)8/h5-8H,2-4,9-11,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b20-14+;2-1-
InChIKey
LFMYNZPAVPMEGP-PIDGMYBPSA-N
Cross-matching ID
PubChem CID
9560989
ChEBI ID
CHEBI:5139
CAS Number
61718-82-9
TTD ID
D0M5JI
INTEDE ID
DR0740

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Serotonin transporter (SERT) TT3ROYC SC6A4_HUMAN Modulator [5]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2E1 (CYP2E1) DEVDYN7 CP2E1_HUMAN Substrate [6]
Cytochrome P450 2D6 (CYP2D6) DECB0K3 CP2D6_HUMAN Substrate [7]
Cytochrome P450 1A2 (CYP1A2) DEJGDUW CP1A2_HUMAN Substrate [8]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Anxiety disorder
ICD Disease Classification 6B00-6B0Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Serotonin transporter (SERT) DTT SLC6A4 8.76E-01 7.18E-05 6.19E-04
Cytochrome P450 2E1 (CYP2E1) DME CYP2E1 9.45E-02 -1.86E-01 -9.83E-01
Cytochrome P450 1A2 (CYP1A2) DME CYP1A2 8.46E-01 -6.63E-03 -4.49E-02
Cytochrome P450 2D6 (CYP2D6) DME CYP2D6 8.70E-01 2.98E-02 1.22E-01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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