Lorazepam

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SMILES:OC1=NC2=C(C=C(Cl)C=C2)C(C2=CC=CC=C2Cl)=NC1O

InChI:InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)

InChI key:DIWRORZWFLOCLC-UHFFFAOYSA-N

Sinónimos: Lorazin, Llorens Brand of Lorazepam,Anxiedin,Lorazepam (JP17/USP/INN), Lorazep,Tox21_111669,Laubeel, Lorzem, Temesta (TN), Sedatival,SMR000058410, Duralozam,Loraz, Novo Lorazem,Loridem,LORAZEPAM [EP MONOGRAPH],Wypax,7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one.,Orfidal, Aplacassee,7-Chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-2H-1,4-benzodiazepin-2-one,Lorazepam 1.0 mg/ml in Acetonitrile, Lorat, Lorazepamum [INN-Latin], Lorsedal,Demethyllormetazepam, Bonton, Vigiten, Desitin Brand of Lorazepam,NSC-289758,Lorazepam, United States Pharmacopeia (USP) Reference Standard,Lorazepam Lannacher,BRD-A11990600-001-01-8,Lorazon,NC00420, AHP Brand of Lorazepam,Rocosgen, Ativan (TN), Serra Pamies Brand of Lorazepam,Nervistop L, Lorapam,DEA No. 2885,Novolorazem,Azurogen, Securit, Lorazepam-Efeka, Sedazin, Lorazepam Medix Brand, Lorazepam Genericon,Lorivan,Sidenar, Pro dorm, 7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one, Lorazepam Dolorgiet Brand,7-Chloro-5-(2-chlorophenyl)-3-hydroxy-1H-1,4-benzodiazepin-2(3H)-one,Wy-4036,(+/-)-Lorazepam, Kalmalin, Quait,7-chloro-3-hydroxy-5-(2'-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-one, Orfidal Wyeth,Lozepam,7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one,Lorazepam solution, 1.0 mg/mL in acetonitrile, ampule of 1 mL, certified reference material, Lorazepam neuraxpharm Brand, Lorazepam neuraxpharm,Ativan, O-Chloroxazepam, Norlormetazepam,CCG-101170,Delormetazepam,Lorazepam for system suitability, European Pharmacopoeia (EP) Reference Standard,Vigiten, Lorazon, Lorazepam Llorens Brand, Lorafen,Emotion,WLN: T67 GMV JN IHJ CG IQ KR BG, Lorazin,BDBM50292627,LORAZEPAM [VANDF], Renaquil,2H-1, 7-chloro-5-(o-chlorophenyl)-1,3-dihydro-3-hydroxy-, Max Pax, Lopam,DTXSID7023225, Bonatranquan,Equitam,CAS-846-49-1,Lorazene, Lorazepam Medical Brand,Lorabenz, 7-Chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-2H-1,4-benzodiazepin-2-one, Lorazepam Novopharm Brand, Baxter Brand of Lorazepam,Efasedan, Loridem,Lorazepam Genericon,Lorazepan Chobet, Apo Lorazepam,Lorazepam 0.1 mg/ml in Acetonitrile,HMS2052H07, Merlit, Aplacasse,Securit, Loraz, Delormetazepam,LORAZEPAM [MART.], Lorazepam Lannacher,Loram,HMS503A11, Lomesta, Demethyllormetazepam,LORAZEPAM [WHO-DD],Larpose, Nu-Loraz,lorazepam,LORAZEPAM [ORANGE BOOK], Efasedan, 7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one,7-chloro-3-hydroxy-5-(2'-chloro-phenyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-one, 7-Chloro-5-(2-chlorophenyl)-3-hydroxy-1H-1,4-benzodiazepin-2(3H)-one, Ct Arzneimittel Brand of Lorazepam,Upan, Sedizepan, Laubeel,5-25-02-00248 (Beilstein Handbook Reference),7-Chloro-5-(2-chloro-phenyl)-3-hydroxy-1,3-dihydro-benzo[e][1,4]diazepin-2-one (lorazepam), Lorazepam Baxter Brand, Wyeth Brand of Lorazepam,7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one,LORAZEPAM7-Chloro-5-(2-chloro-phenyl)-3-hydroxy-1,3-dihydro-benzo[e][1,4]diazepin-2-one,Tolid,(RS)-9-chloro-6-(2-chlorophenyl)-4-hydroxy-2,5-diazabicyclo[5.4.0]undeca-5,8,10,12-tetraen-3-one,ativan,Sedatival, Lorazepam-neuraxpharm,(+-)-7-Chloro-5-(o-chlorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one, L1764_SIGMA, Lorabenz, O-Chlorooxazepam, Somagerol, Stapam,2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-3-hydroxy-,7-Chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-2H-1,4-benzodiazepin-2-one #, Apotex Brand of Lorazepam, Anzepam,Anzepam, Lorazepan Chobet,Lorazepam preservative free,D00365,Punktyl, Azurogen, Rocosgen, Nu-Pharm Brand of Lorazepam, Temesta,NSC289758,HMS3394H07, Lorsilan, Lorazepam Fabra,Lorazepam civ, Emotion,LORAZEPAM [MI],Lorazep, Durazolam, Lorazepam Riemser Brand, Merck dura Brand of Lorazepam, Lorazepam Apotex Brand, Upan,Lorsedal,Lorazepamum,CHEBI:6539,NSC 289758,2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-3-hydroxy-, (+-)-, Punktyl,O-Chloroxazepam; O-Chlorooxazepam; Almazine; WY 4036; WY-4036; WY4036,DB00186, Larpose,EINECS 212-687-6, Lorazepam ratiopharm, Lorazepam Wyeth Brand,LORAZEPAM [EP IMPURITY],AKOS015904303, Lorazepam ratiopharm Brand, WY4036,DSSTox_GSID_23225,Stapam,Tavor,Sedazin,(+/-)-7-CHLORO-5-(O-CHLOROPHENYL)-1,3-DIHYDRO-3-HYDROXY-2H-1,4-BENZODIAZEPIN-2-ONE,Lorazepam Fabra,SCHEMBL26961,Lorazepam Intensol,CHEMBL580, ApoLorazepam,Kalmalin,Lorazepan Richet, Trapax, Lorazepamum, Donix,2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(o-chlorophenyl)-1,3-dihydro-3-hydroxy-,Max Pax,Emotival, Tranqipam,DSSTox_RID_76932, Lorazepam Desitin Brand, Lorazepam AHP Brand,Nervistopl,Tranqipam, Lorazepam-ratiopharm,Aripax, Lorazene, Ativan, Orfidal,846-49-1,Duralozam, Emotival,Anxira,Merlit,2H-1, 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-3-hydroxy-,Lorenin, Nu Pharm Brand of Lorazepam, Novopharm Brand of Lorazepam,UNII-O26FZP769L,Apo-Lorazepam, Wy-4036, Riemser Brand of Lorazepam,LORAZEPAM CIV [USP-RS], Lorazepam Medical,NCGC00159439-02,LOREEV XR, Lorazepam (Ativan),MLS001424236,Trapax, Equitam,o-Chloroxazepam,LORAZEPAM [USP MONOGRAPH], Lorax,Lorazepam, British Pharmacopoeia (BP) Reference Standard, Lorazepam Intensol, Silence,Temesta,BRN 0759084, Ratiopharm Brand of Lorazepam,L-230, Dolorgiet Brand of Lorazepam, Novhepar,Lorax,Silence,Lorat,846L491, Sidenar, Sedicepan, Tavor,KBio1_000965, Novartis Brand of Lorazepam, Loram, Lorazepam (JP15/USP/INN),A840886,2H-1,4-BENZODIAZEPIN-2-ONE, 7-CHLORO-5-(2-CHLOROPHENYL)-1,3-DIHYDRO-3-HYDROXY-, (+/-)-, Novolorazem,Lopam,DivK1c_000965,DTXCID303225,Idalprem,Lorazepam Medical, Neuraxpharm Brand of Lorazepam,Pro dorm, Ct-Arzneimittel Brand of Lorazepam, Lorazepam Novartis Brand,7-Chloro-5-(2-chloro-phenyl)-3-hydroxy-1,3-dihydro-benzo[e][1,4]diazepin-2-one,BCP13713,7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepine-2-one, Lorivan, Sinestron,Bonton, Nervistop L, Anxira,Donix, Tolid,Lorapam,Lorsilan,O26FZP769L,Wy 4036, (+/-)-Lorazepam, Lorenin, Nervistopl, 7-Chloro-5-(o-chlorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one,Lomesta,Somagerol,Novhepar,o-Chlorooxazepam,IDI1_000965,7-Chloro-5-(2-chlorophenyl)-3-hydroxy-1H-benzo[e][1,4]diazepin-2(3H)-one, Apo-Lorazepam, Lozepam,Aplacasse,DSSTox_CID_3225, Nu Loraz,Lorazepam,Lorazepam [USAN:USP:INN:BAN:JAN],Aplacassee, Medical Brand of Lorazepam,GTPL5884, Wypax,Renaquil,Lorazepamum [INN-Latin], Lorazepam preservative free,Nu Loraz,Q408265,Norlormetazepam,Sinestron, Lorazepam [USAN:INN:BAN:JAN],Sedizepan, Idalprem, Lorazepan Richet, Lorazepam ct-Arzneimittel Brand, Medix Brand of Lorazepam,Ativan (TN),LORAZEPAM [USAN],Lorans, Novo-Lorazem,LORAZEPAM [INN], Wy 4036, Medical, Lorazepam, Wyeth, Orfidal, NuLoraz,7-Chloro-5-(o-chlorophenyl)-1,4-benzodiazepin-2-one,Quait,7-chloro-5-(2-chlorophenyl)-3-hydroxy-2,3-dihydro-1H-1,4-benzodiazepin-2-one,(.+/-.)-Lorazepam, Anxiedin,Almazine,7-chloranyl-5-(2-chlorophenyl)-3-oxidanyl-1,3-dihydro-1,4-benzodiazepin-2-one,7-Chloro-5-(o-chlorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one, Lorazep von ct, (+-)-7-Chloro-5-(o-chlorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one,Lorazepam-Efeka, Lorans, Aripax, Lorazepam Nu-Pharm Brand,LORAZEPAM [JAN],Lorazepam, European Pharmacopoeia (EP) Reference Standard, Alzapam,Bonatranquan,NINDS_000965,Lorafen,Lorzem

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)
-0.79
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
-2.58
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
0.09
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.

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/C15H10...

Hydroxylation of benzene on carbon ortho to electron donating group BTMR1045
Reagents

Metabolite: InChI=1S/C15H10...

Hydroxylation of aromatic carbon para to halide group BTMR1041
Enzimas: CYP1A2 CYP2E1 CYP3A4
Reagents

Metabolite: InChI=1S/C15H10...

Hydroxylation of benzene on carbon para to electron donating group BTMR1047
Reagents

Metabolite: InChI=1S/C15H10...

Aromatic hydroxylation of fused benzene ring BTMR1031
Reagents

Metabolite: InChI=1S/C15H10...

Aromatic hydroxylation of fused benzene ring BTMR1032
Reagents

Metabolite: InChI=1S/C15H10...

Hydroxylation of aromatic carbon ortho to halide group BTMR1040
Reagents

Metabolite: InChI=1S/C15H10...

Hydroxylation of aromatic carbon ortho to halide group BTMR1040
Reagents

Metabolite: InChI=1S/C15H10...

Hydroxylation of aromatic carbon ortho to halide group BTMR1040
Reagents

Metabolite: InChI=1S/C15H10...

Reacciones que el metabolismo produce a partir de esta molécula
N-Dealkylation of tertiary carboxamide BTMR1139
Hydroxylation of heteroalicyclic secondary carbon BTMR1070