Methadone inhibition of Glutamate receptor ionotropic
InhibitorySubPathway
Methadone activation of Mu-type opioid receptor
ActivatingSubPathway
HMDB0060672
HMDB
Cytochrome P450 2D6
Endoplasmic Reticulum Membrane
937
ChemSpider
SMILES
NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O
BiologicalState29
Homo sapiens, Liver
5682
ChemSpider
SMILES
NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O
439153
PubChem-compound
SMILES
O
8285690
ChemSpider
Cytochrome P450 3A7
Cytochrome P450 3A4
Cytochrome P450 2B6
Glutamate [NMDA] receptor subunit 3A
Methadone
1.0
ReactionCatalysis1616
ACTIVATION
ReactionCatalysis1615
ACTIVATION
1.0
NAD
SMILES
CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
CHEBI:15846
ChEBI
Cytoplasm
Q12879
UniProt
9879368
PubChem-compound
Q8TCU5
UniProt
P33261
UniProt
SMILES
CCC1=[N+](C)C(C)CC1(C1=CC=CC=C1)C1=CC=CC=C1
1.0
PW000600
PathWhiz
1.14.13.-
false
1.14.13.-
Methadone → 2-ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium (EDDP)
LEFT_TO_RIGHT
BTO:0000759
BRENDA TISSUE ONTOLOGY
SMILES
CCC1=NC(C)CC1(C1=CC=CC=C1)C1=CC=CC=C1
Homo sapiens
ReactionCatalysis1618
ACTIVATION
ReactionCatalysis1617
ACTIVATION
P24462
UniProt
ReactionCatalysis1619
ACTIVATION
388299
ChemSpider
7732-18-5
CAS
1.0
Methadone
1.0
Cytochrome P450 2C8
952
ChemSpider
HMDB0001487
HMDB
Water
ReactionCatalysis1620
ACTIVATION
O2
Oxygen
31.98983
76-99-3
CAS
ReactionCatalysis1624
ACTIVATION
GO:0005789
GENE ONTOLOGY
CH2O
Formaldehyde
30.010565
1.0
CHEBI:16908
ChEBI
2-ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium (EDDP)
4095
PubChem-compound
3953
ChemSpider
C00067
KEGG Compound
1.0
1.0
Mu-type opioid receptor
Cytochrome P450 2D6
Cytochrome P450 2C19
7782-44-7
CAS
HMDB0001377
HMDB
Methadone Metabolism Pathway
HMDB0060931
HMDB
Glutamate [NMDA] receptor subunit epsilon-1
CHEBI:6807
ChEBI
1.0
P20813
UniProt
9606
TAXONOMY
P10635
UniProt
962
PubChem-compound
Cytochrome P450 3A7
C16660
KEGG Compound
Glutamate [NMDA] receptor subunit zeta-1
P10632
UniProt
FORMALDEHYDE
BioCyc
1.0
C20H24N
2-ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium (EDDP)
278.1909
Transport271
false
Methadone (→) Transport: Homo sapiens, Liver, Cell, Cytoplasm to Homo sapiens, Extracellular Space
LEFT_TO_RIGHT
C19H21N
2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline
263.1674
Glutamate [NMDA] receptor subunit zeta-1
Cytochrome P450 3A7
1.0
CPD-6641
BioCyc
5893
PubChem-compound
58-68-4
CAS
1.0
SMILES
O=O
Cytochrome P450 2B6
SMILES
C=O
HMDB0001426
HMDB
692
ChemSpider
1.0
GO:0005886
GENE ONTOLOGY
Glutamate receptor ionotropic
SubPathwayInhibition
BiologicalState73
Homo sapiens, Neuron
HMDB0002111
HMDB
P35372
UniProt
NADH
CHEBI:15377
ChEBI
Cell Membrane
Glutamate [NMDA] receptor subunit 3A
C00007
KEGG Compound
CHEBI:15379
ChEBI
Oxygen
P08684
UniProt
Formaldehyde
712
PubChem-compound
C00001
KEGG Compound
Q05586
UniProt
Glutamate [NMDA] receptor subunit epsilon-1
C00004
KEGG Compound
C00003
KEGG Compound
Liver
8055045
ChemSpider
Cytochrome P450 2C8
C07163
KEGG Compound
Cytochrome P450 3A4
2-ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium (EDDP)
1.14.14.1
false
1.14.14.1
2-ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium (EDDP) + NADH + Oxygen → 2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline + Formaldehyde + NAD + Water
LEFT_TO_RIGHT
HMDB0014477
HMDB
SMP0000624
SMPDB
C21H28N7O14P2
NAD
664.11694
CL:0000540
CELL TYPE ONTOLOGY
Neuron
HMDB0000902
HMDB
2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline
Extracellular Space
10110164
PubChem-compound
C21H29N7O14P2
NADH
665.12476
H2O
Water
18.010565
NADH
BioCyc
NAD
BioCyc
CHEBI:16842
ChEBI
977
PubChem-compound
53-84-9
CAS
SubPathwayControl514
SubPathway514Control
InhibitorySubPathwayControl
50-00-0
CAS
SubPathwayControl515
SubPathway515Control
ActivatingSubPathwayControl
Mu-type opioid receptor
SubPathwayActivation
C21H27NO
Methadone
309.20926
GO:0005615
GENE ONTOLOGY
GO:0005737
GENE ONTOLOGY
Methadone
SubPathwayInhibitor
SubPathwayActivator
Cytochrome P450 2C19
1.0