Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2421)
Drug Name
Milnacipran
Synonyms
Midalcipran; Milnace; Milnacipran; Milnacipran (INN); Milnacipran [INN]; Milnacipranum; Milnacipranum [Latin]; (+-)-Milnacipran; Dalcipran; Dextromilnacipran; ES1O38J3C4; (+-)-cis-2-(Aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide; (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide; (1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide; 92623-85-3; Cyclopropanecarboxamide, 2-(aminomethyl)-N,N-diethyl-1-phenyl-, cis-(+-)-; F 2207; F2207; Ixel; UNII-ES1O38J3C4
Indication Asperger syndrome [ICD11: 6A02] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 246.35 Topological Polar Surface Area 46.3
Heavy Atom Count 18 Rotatable Bond Count 5
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
65833
ChEBI ID
CHEBI:94468
CAS Number
92623-85-3
Formula
C15H22N2O
Canonical SMILES
CCN(CC)C(=O)C1(CC1CN)C2=CC=CC=C2
InChI
1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m1/s1
InChIKey
GJJFMKBJSRMPLA-HIFRSBDPSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Milnacipran carbamic acid DM002675
155543760
Unclear 1 [2]
N-Desethyl milnacipran DM002677
13718739
Oxidation - Desethylation 1 [2]
Milnacipran carbamoyl O-glucuronide metabolite DM002676 N. A. Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001684 Milnacipran Milnacipran carbamic acid Unclear Unclear [2]
MR001685 Milnacipran N-Desethyl milnacipran Oxidation - Desethylation CYP2J2 ... [2]
MR001683 Milnacipran carbamic acid Milnacipran carbamoyl O-glucuronide metabolite Unclear Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[2]
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[3]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[3]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[4]
Cytochrome P450 2J2 (CYP2J2) DME0031 Homo sapiens
CP2J2_HUMAN
1.14.14.24
[2]
Cytochrome P450 2J2 (CYP2J2) DME0031 Homo sapiens
CP2J2_HUMAN
1.14.14.24
[3]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[2]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[3]
Unclear metabolic mechanism (DME-unclear) DME1362 Bacteroides caccae Not Available Not Available [5]
Unclear metabolic mechanism (DME-unclear) DME1391 Bifidobacterium ruminatum Not Available Not Available [5]
⏷ Show the Full List of 12  DME(s)
References
1 ClinicalTrials.gov (NCT01207453) Milnacipran in the Treatment of Widespread, Non-Joint Pain in Rheumatoid Arthritis
2 Excretion and metabolism of milnacipran in humans after oral administration of milnacipran hydrochloride Drug Metab Dispos. 2012 Sep;40(9):1723-35. doi: 10.1124/dmd.112.045120.
3 FDA LABEL:Milnacipran
4 Serotonin and Norepinephrine Reuptake Inhibitors
5 Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467.

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