Hydrocortisone

pubchem

Hydrocortisone

Verificar en pubchem

drugmap

Hydrocortisone

Verificar en drugmap

wiki

Hydrocortisone

Verificar en wiki

SMILES:CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO

InChI:InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3

InChI key:JYGXADMDTFJGBT-UHFFFAOYSA-N

Sinónimos: Prevex HC, Sigmacort, Rectoid, Component of Neo-Cort-Dome, Cortril, Lacticare-HC, Hydrocortone, Hydrocorticosterone, Proctozone HC, Basan-Corti, Neosporin-H Ear, Anflam, DuoCort, Efcortelin, Eldercort, Vytone, Colocort, Nutracort, Domolene-HC, Timocort, Derm-Aid, Incortin-hydrogen, Foille Insetti, Hydracort,Acticort, Epiderm H, Cremesone, Hydrocortisonum [INN-Latin], Cutisol, Protocort, Hydrocortisone [INN:BAN:JAN], 17alpha-Hydroxycorticosterone, Scalpicin Capilar, Alacort, Dioderm, Eldecort, Genacort (lotion), Dermaspray, Hydrocortisone alcohol, Permicort, Delacort, Dermacort, Pediotic Suspension,Cortisol, Milliderm, Scalp-Cort, Proctocort, 11beta-Hydroxycortisone, Aquanil HC, Cortef, Fiocortril, Cortonema, Aeroseb HC, Hydro-Adreson, Hytisone, Cortesal, Cortisporin Otico, Esiderm H, Cyclodextrin-encapsulated hydrocortisone, Medicort, Hi-cor, Glycort, Chronocort, Cortisporin, Nystaform-HC, Cetacort, Epicortisol, Heb-Cort, Stiefcorcil, Lactisona, Cortispray, Mildison, Ala-Cort, CaldeCORT Spray, Hydrasson, Heb Cort, Gyno-Cortisone, 17-Hydroxycorticosterone, Otocort, Aeroseb-HC, Anusol HC (TN), Cremicort-H, Cortoxide, [3H]cortisol, Cortef (TN), Cortanal, Aquacort, Penecort, Cort-Dome, Sanatison, Corticreme, Rectasol-HC, Colocort (TN), Incortin-H, Amberin, Tarcortin, Cortiment, Cleiton, Cortolotion, Cortisol, VoSol HC, Traumaide, Idrocortisone [DCIT], Hydro-RX, Alphaderm, Hydrocortisone free alcohol, Polcort H, Cortisolonum, HC #4, Kyypakkaus, HYDROCORTISONE IN ABSORBASE, Hytone, Neo-Cortef, Remederm HC, Epicort, Texacort lotion 25, Hydrocortisone (JP15/USP/INN), Dermocortal, Hidalone, Anucort-HC, Transderma H, Hycortole, Hycortol, Ficortril, Optef, Cortisol, Hydrocortisone, Hidro-Colisona, HC #1, Reichstein's substance M, Lacticare HC, Flexicort, Hidrocortisona [INN-Spanish], Hydrocortisone-Water Soluble, Nogenic HC, Cobadex, Hydroskin, Texacort, Evacort, 11beta-Hydrocortisone, Systral Hydrocort, Anti-inflammatory hormone, HC (HYDROCORTISONE), Efcortelan, Hydro-Colisona, 11beta,17,21-Trihydroxyprogesterone, Hydrocortisone solution, Hycort, Hydrocortisone base, H-Cort, Dermil, Otosone-F, Cortisol alcohol, 11-beta-Hydroxycortisone, Lubricort, Balneol-hc, Schericur, AnusolHC, Efcorbin, Algicirtis, Cortifair, Zenoxone, Scheroson F, Component of Otalgine, Ala-Scalp, Kendall's compound F, Meusicort, Beta-hc, Hytone lotion, Barseb HC, Uniderm, Idrocortisone, Drotic, Ef corlin, Dermolate, Acticort (TN), Genacort, COR-OTICIN, ACETIC ACID W/ HYDROCORTISONE, Dome-cort, Hytone (TN),(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,- 11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one,Hydrocortisone, Hydrocortisyl, ORLEX HC, Synacort, Prepcort, Component of Lubricort, Anucort, Hydrocortal, Corhydron, Signef, Preparation H Hydrocortisone Cream, Komed HC, HYDROCORTISONE AND ACETIC ACID, ACETASOL HC, Hydroxycortisone, Stie-cort, H 4001, Clear aid, Maintasone, Cortifan, Dihydrocostisone, 11-beta-Hydrocortisone, Cortenema

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)
-0.31
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
-2.44
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
-0.46
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
Dehydrogenation of secondary alcohol BTMR0030
Enzimas: 1.1.1.1
Reagents
Dehydrogenation of 11-beta-hydroxysteroid BTMR0364
Enzimas: 1.1.1.146
Reagents

Metabolite: InChI=1S/C21H29...

Reduction of carbonyl BTMR0368
Enzimas: 1.1.1.184
Reagents

Metabolite: InChI=1S/C21H32...

17-OH-Glucuronidation of sterol BTMR0163
Enzimas: 2.4.1.17
Reagents

Metabolite: InChI=1S/C27H38...

16-Hydroxylation of sterol BTMR0407
Reagents

Metabolite: InChI=1S/C21H30...

2-Hydroxylation of sterol BTMR0398
Reagents

Metabolite: InChI=1S/C21H30...

4-Hydroxylation of sterol BTMR0400
Enzimas: CYP1A2 CYP3A4
Reagents

Metabolite: InChI=1S/C21H30...

Oxidation of primary alcohol to aldehyde BTMR0105
Enzimas: CYP1A2 CYP2E1 CYP3A4
Reagents

Metabolite: InChI=1S/C21H28...

6-Hydroxylation of sterol BTMR0402
Reagents

Metabolite: InChI=1S/C21H30...

Hydroxylation of methyl carbon adjacent to aliphatic ring BTMR0054
Reagents

Metabolite: InChI=1S/C21H30...

Hydroxylation of methyl carbon adjacent to aliphatic ring BTMR0054
Reagents

Metabolite: InChI=1S/C21H30...

Reduction of ketone to alcohol BTMR1171
Enzimas: CYP2C9
Reagents

Metabolite: InChI=1S/C21H32...

Reduction of ketone to alcohol BTMR1171
Enzimas: CYP2C9
Reagents

Metabolite: InChI=1S/C21H32...

Reduction of alpha,beta-unsaturated carbon-carbon double bond adjacent to electron withdrawing group BTMR1209
Enzimas: 1.6.99.1
Reagents

Metabolite: InChI=1S/C21H32...

Dehydrogenation from CyProduct BTMR1338
Enzimas: 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1
Reagents

Metabolite: InChI=1S/C21H32...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Corticosteroid 11-beta-dehydrogenase isozyme 1
Reagents

Metabolite: InChI=1S/C21H28...

Dehydrogenation from CyProduct BTMR1338
Enzimas: 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1
Reagents

Metabolite: InChI=1S/C21H32...

Dehydrogenation from CyProduct BTMR1338
Enzimas: Corticosteroid 11-beta-dehydrogenase isozyme 1
Reagents

Metabolite: InChI=1S/C21H28...

Reacciones que el metabolismo produce a partir de esta molécula
Oxygenation 1107
Enzimas: Cytochrome P450 11B1, mitochondrial
Products
Hydroxylation from CyProduct BTMR1328
Enzimas: Steroid 21-hydroxylase
Products

Metabolite: InChI=1S/C21H30...

Oxygenation 1107
Enzimas: Cytochrome P450 11B1, mitochondrial
Products

Metabolite: InChI=1S/C21H30...

Reduction of alpha,beta-unsaturated carbon-carbon double bond adjacent to electron withdrawing group BTMR1209
Enzimas: 1.6.99.1
Hydroxylation from CyProduct BTMR1328
Enzimas: Steroid 21-hydroxylase
Products

Metabolite: InChI=1S/C21H30...

Oxygenation 1107
Enzimas: Cytochrome P450 11B1, mitochondrial
Products

Metabolite: InChI=1S/C21H30...