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

Sinónimos: 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

Similitudes

Poder identificar moléculas similares a la que estudiamos puede permitir inferir algunas de sus propiedades. Hay varias formas de medir la similitud entre moléculas, por su estructura, efectos, interacciones farmacológicas, etc. A continuación, puedes encontrar moléculas similares según varios criterios y herramientas que desarrollamos. Para comprender las limitaciones de estas comparaciones, es crucial referirse siempre a la metodología utilizada para medir esas similitudes.Ten en cuenta: Esta información se proporciona únicamente con fines informativos y no debe interpretarse como asesoramiento médico.

Para medir la similitud estructural, utilizamos el método de Mol2vec Mol2Vec, que es una red neuronal que procesa moléculas y las transforma en puntos en el espacio, de modo que las moléculas con subestructuras químicamente relacionadas se transforman en puntos cercanos en el espacio.

Propiedades de la molécula

Utilizando el modelo de KGPT Aprendizaje Profundo, predecimos varias propiedades de la molécula. Las predicciones se agrupan según el conjunto de datos que se utilizó para obtener esas predicciones. Junto con cada predicción, proporcionamos un gráfico que muestra la distribución de los valores predichos en el conjunto de datos de entrenamiento/prueba/validación. Esto da una estimación de la confiabilidad del modelo.

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

Perspectivas avanzadas

En lo siguiente, proporcionamos un análisis más avanzado sobre las interacciones de una molécula con el metabolismo humano, sitios de acoplamiento, etc.

Afinidades

Afinidades de unión con una lista de 61 sitios de acoplamiento predefinidos. Estas afinidades se utilizan para calcular las similitudes de interacciones.

Interacción de esta molécula con el metabolismo

Utilizamos un modelo de Aprendizaje Profundo para predecir las interacciones de esta molécula con el metabolismo. Consulta la fuente para entender la metodología.

Reacciones que metabolizan esta molécula
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
Enzimas: CYP1A2
Reagents

Metabolite: InChI=1S/C18H25...

Hydroxylation of heteroalicyclic secondary carbon BTMR1071
Enzimas: CYP1A2
Reagents

Metabolite: InChI=1S/C18H25...

Aromatic hydroxylation of fused benzene ring BTMR1031
Reagents

Metabolite: InChI=1S/C18H25...

Hydroxylation of alicyclic tertiary carbon BTMR1243
Enzimas: 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...

Reacciones que el metabolismo produce a partir de esta molécula