dxm

tripsit

dxm

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psychonaut

Dextromethorphan

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isomerdesign

DXM

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isomerdesign

Levomethorphan

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isomerdesign

Racemethorphan

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pubchem

Dextromethorphan

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druglab

Dextrométhorphane

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drugmap

Dextromethorphan

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drugmap

Dextromethorphan

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wiki

Dextromethorphan

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wiki

Levomethorphan

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wiki

Methorphan

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SMILES:COC1=CC2=C(C=C1)CC1C3CCCCC23CCN1C

InChI:InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3

InChI key:MKXZASYAUGDDCJ-UHFFFAOYSA-N

Synonymes: Cough-X,Levomethorphan,delta-Methorphan, Demorphine,ZINC3201907,(+)-3-Methoxy-17-methylmorphinan, Cosylan, Dexyromethorphan,Dextromethorphan,(9alpha,13alpha,14alpha)-3-Methoxy-17-methylmorphinan, Benylin DM 12 Hour,Prestwick1_000359, Delsym Cough Formula, L-Methorphan, Benylin DM for Children 12 Hour,DEXTROMETHORPHAN [USP MONOGRAPH],(+)-Dextromethorphan,Dextromethorphane [INN-French],9-alpha,13-alpha,14-alpha-Morphinan, 3-methoxy-17-methyl-,robo,3-Methoxy-17-methyl-9.alpha.,13.alpha.-morphinan, Morphinan, 3-methoxy-17-methyl-, (9-alpha,13-alpha,14-alpha)-(9CI), Levomethorphan,DB00514,(9a,13a,14a)-3-Methoxy-17-methylmorphinan,Tusilan (Salt/Mix), Robitussin Maximum Strength Cough Suppressant,3-Methoxy-17-methyl-9.alpha.,13.alpha.,14.alpha.-morphinan,DXM [Antitussive],BPBio1_000503, Dormetan,9alpha,13alpha,14alpha-Morphinan, 3-methoxy-17-methyl-, Levomethorphanum,SCHEMBL29949, Creo-Terpin, Dextromethorphan (USP), 3-Methoxy-N-methylmorphinon,HMS2090C08, Dextrometorfano [INN-Spanish],NSC-751452,Dextromethorphanum [INN-Latin], Dextromethorphan [USP:INN:BAN], Dextrometorfano,robitussin,dextromethorphan,4-21-00-01367 (Beilstein Handbook Reference), Dextromethorphane,Morphinan, 3-methoxy-17-methyl-, (9-alpha,13-alpha,14-alpha)-,Nodex,Benylin DM,(+)-cis-1,3,4,9,10,10a-Hexahydro-6-methoxy-11-methyl-2H-10,4alpha-iminoethanophenanthren,Prestwick3_000359,( )-cis-1,3,4,9,10,10a-Hexahydro-6-methoxy-11-methyl-2H-10,4alpha-iminoethanophenanthren, Calmylin #1, Levomethorphane, 9alpha,13alpha,14alpha-Morphinan, 3-methoxy-17-methyl-(8CI),Dextromethorphanum,(4aS,10S,10aS)-6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene, Dextromethorfan,Dextromethorphane,NSC 751452,EINECS 204-752-2,BRD-K33211335-337-03-7,DEXTROMETHORPHAN [USP-RS],Dextrometorfano [INN-Spanish],Prestwick0_000359,BRN 0088549,(+)-3-Methoxy-N-methylmorphinon,d-Methorphan,Calmylin,( )-3-Methoxy-N-methylmorphinon,dex,Racemethorphan,C06947,Methorphan, Novahistex DM,Morphinan, 3-methoxy-17-methyl-, (9.alpha.,13.alpha.,14.alpha.)-,Albutussin,LSM-2726,Romilar,Racemethorphan [as d-form],syrup,BA-2666, Koffex DM, (+)-3-Methoxy-17-methylmorphinan, Benylin Pediatric Cough Suppressant,DEXTROMETHORPHAN [HSDB], Pertussin CS Children's Strength, Dextromethorphane [INN-French],Destrometerfano, Robitussin Pediatric Cough Suppressant, Canfodion, 3-Methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan,(1S,9S,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene, Benylin DM for Children, Dextromethorphanum, Dextromorphan, Pertussin DM Extra Strength,Dextrometorfano,NCGC00015333-02,DEXTROMETHORPHAN [MI],CHEBI:92579,(9RS,13RS,14RS)-3-Methoxy-17-methylmorphinane,Prestwick2_000359,BDBM50366613, Dextrometorphan,Dextromethorphan solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material,7355X3ROTS,Dextromethorfan [Czech],BSPBio_000457,(+)-3-methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan, Destrometerfano [DCIT],(1R,9R,10R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2,4,6-triene, Levomethorphane [INN-French],AKOS025311415, Balminil DM Children, (-)-3-Methoxy-N-methylmorphinan,GTPL6953,Destrometerfano [DCIT],Dextromethorfan, Cis-1,3,4,9,10,10a-Hexahydro-6-methoxy-11-methyl-2H-10,4alpha-iminoethanophenanthren,D03742,DXM, Hold DM, Delta-Methorphan, Trocal, Dextromethorfan [Czech], Benylin Adult Formula Cough Suppressant,DEXTROMETHORPHAN [MART.], Demorphan hydrobromide,(9S,13S,14S)-3-Methoxy-17-methylmorphinan,Morphinan, 3-methoxy-17-methyl-, (9?,13?,14?)-, Romilar (TN),NCGC00015333-01,9.alpha.,13.alpha.,14.alpha.-Morphinan, 3-methoxy-17-methyl-,Dextrometorphan,DEXTROMETHORPHAN [INN],DEXTROMETHORPHAN [VANDF],Romilar (Salt/Mix), Balminil DM,9alpha,13alpha,14alpha-Morphinan, 3-methoxy-17-methyl- (8CI), Levometorfano,DTXSID3022908,Q407781,SPBio_002378,LVM, Levomethorphanum [INN-Latin], Vicks 44 Cough Relief,4-methoxy-12-methyl-12-azatetracyclo[9.3^1.10^.0^2.7^] heptadeca-2(7),3,5-triene, Dextromethorphanum [INN-Latin], Triaminic DM Long Lasting for Children,Balminil DM,Medicon (Salt/Mix),Dextromorphan, Destrometerfano, BA 2666, Hihustan M.,AVP-786, (9alpha,13alpha,14alpha)-17-methyl-3-(methyloxy)morphinan,Morphinan, 3-methoxy-17-methyl-, (9alpha,13alpha,14alpha)-,Delsym (Salt/Mix), D-Methorphan, Dextromethorphan Bromhydrate, Sucrets 4 Hour Cough Suppressant,Dextromethorphan (USP),CHEBI:4470,125-71-3,3-Methoxy-17-methylmorphinan-, (9.alpha.,13.alpha.,14.alpha.)- #,3-Methoxy-17-methyl-9a,13a,14a-morphinan,(9alpha,13alpha,14alpha)-17-methyl-3-(methyloxy)morphinan, Robitussin Pediatric, Methorphan,robotussin, Diabe-Tuss DM Syrup,DEXTROMETHORPHAN [WHO-DD],Lopac-D-2531, Levometorfano [INN-Spanish],Dextromethorphan [USP:INN:BAN],J-005274,(+)-3-methoxy-n-methylmorphinan, Neurodex (TN),BA 2666, Novahistine DM,HSDB 3056,CHEMBL52440, RACEMETHORPHAN,3-Methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan, Levomethorphan [INN:BAN:DCF], Levomethorphan [BAN:DCF:INN], 3-Methoxy-17-methylmorphinan,UNII-7355X3ROTS

Similarités

Pouvoir identifier des molécules similaires à celle que nous étudions peut permettre d'inférer certaines de ses propriétés. Il existe plusieurs façons de mesurer la similitude entre les molécules, par leur structure, leurs effets, leurs interactions pharmacologiques, etc. Vous pouvez trouver ci-dessous des molécules similaires selon divers critères et des outils que nous avons développés. Pour comprendre les limitations de ces comparaisons, il est crucial de se référer toujours à la méthodologie utilisée pour mesurer ces similitudes.Veuillez noter : Ces informations sont fournies uniquement à des fins informatives et ne doivent pas être interprétées comme des conseils médicaux.

Pour mesurer la similarité structurelle, nous utilisons la méthode Mol2vecmol2vec, qui est un réseau neuronal qui traite les molécules et les transforme en points dans l'espace, de telle sorte que les molécules avec des sous-structures chimiquement apparentées soient transformées en points proches dans l'espace.

Propriétés moléculaires

En utilisant le modèle de KGPT Deep Learning, nous prédisons plusieurs propriétés de la molécule. Les prédictions sont regroupées par l'ensemble de données utilisé pour les obtenir. Avec chaque prédiction, nous fournissons un graphique montrant la distribution des valeurs prédites sur l'ensemble d'entraînement/test/validation. Cela donne une estimation de la fiabilité du modèle.

Description: A dataset focused on predicting the inhibitory effects of molecules on the enzyme beta-secretase 1 (BACE1). BACE1 inhibition is a potential target for Alzheimer's disease treatment.
Class
TrainValTest
2.88-3.70-1.36
Description: A dataset providing insights on the ability of molecules to penetrate the blood-brain barrier. Crucial for understanding the potential of molecules as central nervous system drugs.
p_np
TrainValTest
-2.24-3.290.40
Description: This dataset deals with the FDA approval status and clinical trial toxicity of molecules. Important for understanding the safety and regulatory status of compounds.
CT_TOX
TrainValTest
-0.49-0.78-0.91
FDA_APPROVED
TrainValTest
0.53-1.27-0.50
Description: A dataset that predicts the solubility of molecules in water. Solubility is an essential property influencing bioavailability and the potential formulation of a drug.
logSolubilitylog(mol/L)
-1.87
TrainValTest
Description: This dataset is centered on predicting the free energy when a molecule is dissolved in water. The energy changes can affect molecular interactions in biological systems.
freesolvkcal/mol
-0.70
TrainValTest
Description: A dataset predicting the lipophilicity of molecules. Lipophilicity is a crucial factor affecting the distribution, metabolism, and excretion of drugs in the body.
lipoAlogP
-0.58
TrainValTest
Description: This dataset gives insights into the metabolic stability of molecules. High metabolic stability often results in a longer half-life, influencing drug dosage and frequency.
low
TrainValTest
-0.17-3.50-2.88
high
TrainValTest
0.72-3.55-0.49
27 entries
12 entries
617 entries

Perspectives avancées

Nous fournissons des analyses plus avancées sur les interactions d'une molécule avec le métabolisme humain, les sites de liaison, etc.

Affinités

Affinités de liaison avec une liste de 61 sites de liaison prédéfinis. Ces affinités sont utilisées pour calculer les similarités d'interactions.

Interaction de cette molécule avec le métabolisme

Nous utilisons un modèle d'apprentissage en profondeur pour prédire les interactions de cette molécule avec le métabolisme. Consultez la source pour comprendre la méthodologie.

Réactions qui métabolisent cette molécule
Aromatic hydroxylation of fused benzene ring BTMR1030
Reagents

Metabolite: InChI=1S/C18H25...

O-Dealkylation BTMR0052
Hydroxylation of alicyclic secondary carbon BTMR1068
Reagents

Metabolite: InChI=1S/C18H25...

Hydroxylation of alicyclic secondary carbon BTMR1068
Reagents

Metabolite: InChI=1S/C18H25...

Hydroxylation of alicyclic secondary carbon BTMR1068
Reagents

Metabolite: InChI=1S/C18H25...

Hydroxylation of alicyclic secondary carbon BTMR1068
Reagents

Metabolite: InChI=1S/C18H25...

N-Oxidation of alicyclic tertiary amine BTMR1099
N-Dealkylation of alicyclic tertiary amine BTMR1144
Hydroxylation of heteroalicyclic secondary carbon BTMR1070
Reagents

Metabolite: InChI=1S/C18H25...

Hydroxylation of heteroalicyclic secondary carbon BTMR1071
Enzymes: CYP1A2
Reagents

Metabolite: InChI=1S/C18H25...

Hydroxylation of heteroalicyclic secondary carbon BTMR1071
Enzymes: CYP1A2
Reagents

Metabolite: InChI=1S/C18H25...

Aromatic hydroxylation of fused benzene ring BTMR1031
Reagents

Metabolite: InChI=1S/C18H25...

Hydroxylation of alicyclic tertiary carbon BTMR1243
Enzymes: CYP1A2
Reagents

Metabolite: InChI=1S/C18H25...

Aliphatic hydroxylation of carbon alpha to secondary or tertiary alkyl-N BTMR1081
Reagents

Metabolite: InChI=1S/C18H25...

Aliphatic hydroxylation of carbon alpha to secondary or tertiary alkyl-N BTMR1081
Reagents

Metabolite: InChI=1S/C18H25...

Réactions qui produisent du métabolisme à partir de cette molécule