Compounds.

Similitudes

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.

Compuestos estructuralmente más similares. El porcentaje es una medida de cuán estructuralmente similares son esas moléculas, lo cual a menudo está fuertemente correlacionado con sus efectos.

1

Lixisenatide

Verificar en drugmap

2

F-G-G-F-T-G-A-R-K-S-...

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3

F-G-G-F-T-G-A-R-K-S-...

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4

F-G-G-F-T-G-Aib-R-K-...

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48.5%

5

FGGFTGARKSARKLADE

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48.5%

6

F-G-G-F-T-G-Aib-R-K-...

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48.5%

7

FGGFTGARKSARKLWNQ

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48.5%

8

NOCICEPTIN

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Nociceptin

Verificar en wiki

48.5%

9

FGGFTGARKSARKLKNQ

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48.5%

10

FGGFTGARKSARKLRNQ

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48.5%

11

FGGFTGARKSARKLVNQ

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48.5%

12

F-G-G-F-T-G-A-R-K-S-...

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48.4%

13

F-G-G-F-T-G-A-R-K-S-...

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48.4%

14

F-G-G-F-T-G-Aib-R-K-...

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48.4%

15

FGGFTGARKSARKLFNQ

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48.4%

16

F-G-G-F-T-G-MeA-R-K-...

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48.4%

17

F-G-G-F-T-G-A-R-K-S-...

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48.4%

18

F-G-G-F-T-G-A-R-K-S-...

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48.4%

19

FGGFTGARKSARKLLNQ

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48.4%

20

FGGFTGARKSARKLYNQ

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48.4%

21

Dynorphin A

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Dynorphin A

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48.4%

22

Leumorphin

Verificar en wiki

48.4%

23

F-G-G-F-T-G-MeA-R-K-...

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48.4%

24

F-G-G-F-T-G-A-R-K-S-...

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48.4%

25

F-G-G-F-T-G-A-R-K-S-...

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48.4%

26

Somatropin recombina...

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48.4%

27

CCK-33

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48.4%

28

Sifuvirtide

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48.4%

29

KW-5139

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KW-5139

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47.8%

30

MOTILIN

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46.0%
Similitudes calculadas en base a las afinidades de las moléculas con el sitio de acoplamiento de proteínas seleccionado.
- Lista de compuestos que tienen las afinidades de sitios de acoplamiento más similares. El porcentaje es una medida de cuán similares son las afinidades de unión de las moléculas, lo que debería ser un indicador de cuán similarmente interactúan con el cerebro.
  
  1
  
  quazepam
  
  Quazepam
  
  Quazepam
  
  Quazepam
  
  2
  
  Indomethacin morphol...
  
  BML-190
  
  3
  
  11-Hydroxy-Δ9-THC
  
  11-Hydroxy-THC
  
  4
  
  6α-Chloro-17β-hydrox...
  
  85.3%
  
  5
  
  1-Methyl-LSD
  
  N1-Methyl-lysergic a...
  
  85.2%
  
  6
  
  cloniprazepam
  
  Cloniprazepam
  
  Cloniprazepam
  
  85.2%
  
  7
  
  Ramatroban
  
  Ramatroban
  
  85.2%
  
  8
  
  Ro-14-2652
  
  85.1%
  
  9
  
  Ethyl (2S)-3,3-dimet...
  
  85.1%
  
  10
  
  EMB-FUBINACA
  
  85.1%
  
  11
  
  Methyl (16E)-9-metho...
  
  Methyl (16E)-9-metho...
  
  Methyl (16E)-9-metho...
  
  Mitragynine
  
  Mitragynine
  
  Speciociliatine
  
  85.0%
  
  12
  
  JWH-203
  
  JWH-203
  
  JWH-203
  
  85.0%
  
  13
  
  Ibogaine
  
  Tabernanthe iboga (b...
  
  ibogaine
  
  Ibogaine
  
  Epiibogaine
  
  Ibogaine
  
  Ibogaine
  
  Ibogaine
  
  Ibogaine
  
  84.9%
  
  14
  
  RB-64
  
  RB-64
  
  84.9%
  
  15
  
  Cebranopadol
  
  GRT-6005
  
  Cebranopadol
  
  84.8%
  
  16
  
  Tofisopam
  
  Dextofisopam
  
  Tofisopam
  
  84.8%
  
  17
  
  Ro-14-5921
  
  84.7%
  
  18
  
  Ro-11-5073
  
  84.7%
  
  19
  
  Ethyl 7-[(3-iodo-6-m...
  
  84.5%
- Lista de compuestos que tienen las afinidades de sitios de acoplamiento más similares y también tienen interacciones altas con receptores de dopamina. Esto es, por lo tanto, un indicador de cuánto estimula esta molécula los receptores de dopamina.
  
  1
  
  mpa
  
  2-MeO-MA
  
  Methoxyphenamine
  
  Methoxyphenamine
  
  2
  
  3′-F-4-MAR
  
  3
  
  N,N-Me-2,5-HMPEA
  
  4
  
  BODM
  
  88.7%
  
  5
  
  MM-GEA
  
  88.7%
  
  6
  
  6-Fluoro-AMT
  
  6-Fluoro-AMT
  
  88.7%
  
  7
  
  4-FPO
  
  88.7%
  
  8
  
  5-Carbamoyl-T
  
  [3H]5-CT
  
  5-Carboxamidotryptam...
  
  88.7%
  
  9
  
  1-(3,5-Dimethoxyphen...
  
  88.7%
  
  10
  
  IM
  
  Isomescaline
  
  88.7%
  
  11
  
  β,N-Me-4-MPEA
  
  88.7%
  
  12
  
  25H-NMe
  
  88.7%
  
  13
  
  β,N-Me-2-MPEA
  
  88.7%
  
  14
  
  2,3-HMeMMPEA
  
  88.7%
  
  15
  
  3-MeO-MA
  
  3-Methoxymethampheta...
  
  88.7%
  
  16
  
  N-Methylhomoveratryl...
  
  88.6%
  
  17
  
  1-(2,6-Dimethoxyphen...
  
  88.6%
  
  18
  
  β,3,4-TMPEA
  
  88.6%
  
  19
  
  N-Me-3,5-DMPEA
  
  88.6%
  
  20
  
  BO3MM
  
  88.6%
- List of compounds which have the most similar docking sites affinities and have also high dopamine receptor interactions, but now using addictive data predicted by a Machine Learning model. In practive this one is slightly more reliable than the other approach. This is thus a proxy to how much this molecule stimulates the dopamine receptors.
  
  1
  
  2-Aminoindane
  
  2-ai
  
  2-AI
  
  2-Aminoindane
  
  2
  
  ethketamine
  
  Ethketamine
  
  N-Ethylnorketamine
  
  3
  
  PRO-LAD
  
  pro-lad
  
  PRO-LAD
  
  PRO-LAD
  
  PRO-LAD
  
  4
  
  Etazene
  
  etodesnitazene
  
  Etodesnitazene
  
  Etodesnitazene
  
  38.6%
  
  5
  
  4-fpp
  
  pFPP
  
  Para-Fluorophenylpip...
  
  38.4%
  
  6
  
  Dextropropoxyphene
  
  propoxyphene
  
  dextropropoxyphene
  
  Propoxyphene
  
  Levopropoxyphene
  
  Propoxyphene
  
  Dextropropoxyphène
  
  Dextropropoxyphene
  
  Dextropropoxyphene
  
  Levopropoxyphene
  
  38.3%
  
  7
  
  bk-ivp
  
  bk-IVP
  
  38.3%
  
  8
  
  3-meo-pcpr
  
  3-MeO-PCPr
  
  38.2%
  
  9
  
  3-Me-PCP
  
  3-Me-PCP
  
  3-Methyl-PCP
  
  38.0%
  
  10
  
  Buprenorphine
  
  buprenorphine
  
  (18R)-17-(Cyclopropy...
  
  Buprénorphine
  
  Buprenorphine
  
  Buprenorphine
  
  38.0%
  
  11
  
  brotizolam
  
  Brotizolam
  
  Brotizolam
  
  37.4%
  
  12
  
  ALD-52
  
  ald-52
  
  1-Acetyl-LSD
  
  ALD-52
  
  ALD-52
  
  37.2%
  
  13
  
  1P-LSD
  
  1p-lsd
  
  1P-LSD
  
  1P-LSD
  
  1P-LSD
  
  36.9%
  
  14
  
  5F-PB-22
  
  5f-pb-22
  
  5F-PB-22
  
  5F-PB-22
  
  5F-PB-22
  
  36.8%
  
  15
  
  Sufentanil
  
  sufentanil
  
  Sufentanil
  
  Sufentanil
  
  Sufentanil
  
  Sufentanil
  
  Sufentanil
  
  36.7%
  
  16
  
  1cP-MiPLA
  
  1cP-MIPLA
  
  36.6%
  
  17
  
  JWH-018
  
  JWH-018
  
  1-Pentyl-3-(1-naphth...
  
  JWH-018
  
  36.5%
  
  18
  
  Risperidone
  
  Risperidone
  
  Risperidone
  
  Risperidone
  
  Risperidone
  
  36.2%
  
  19
  
  THC-O
  
  Δ9-THC acetate
  
  THC-O-acetate
  
  36.2%
  
  20
  
  THJ-018
  
  THJ-018
  
  THJ-018
  
  36.2%
  
  21
  
  5F-AKB48
  
  5f-akb48
  
  5F-APINACA
  
  5F-AKB48
  
  5F-APINACA
  
  36.2%
  
  22
  
  Salvinorin B methoxy...
  
  Methoxymethyl salvin...
  
  Salvinorin B methoxy...
  
  Salvinorin B methoxy...
  
  36.2%
  
  23
  
  JWH-073
  
  JWH-073
  
  1-Butyl-3-(1-naphtho...
  
  JWH-073
  
  36.2%
  
  24
  
  THJ-2201
  
  THJ-2201
  
  THJ-2201
  
  36.2%
  
  25
  
  Salvinorin A
  
  Salvinorin A
  
  Salvinorin A
  
  Salvinorin A
  
  Salvinorin A
  
  36.2%
  
  26
  
  4-AcO-DMT
  
  4-aco-dmt
  
  4-AcO-DMT
  
  4-AcO-DMT
  
  O-Acetylpsilocin
  
  36.1%
  
  27
  
  rolicyclidine
  
  PCPy
  
  Rolicyclidine
  
  Rolicyclidine
  
  Rolicyclidine
  
  33.8%
  
  28
  
  Naloxone
  
  3,14-Dihydroxy-17-(p...
  
  Naloxone
  
  Naloxone
  
  Naloxone
  
  33.7%
  
  29
  
  Diphenidine
  
  diphenidine
  
  Diphenidine
  
  Diphénidine
  
  Diphenidine
  
  33.7%
  
  30
  
  Benzydamine
  
  benzydamine
  
  Benzydamine
  
  Benzydamine
  
  Benzydamine
  
  Benzydamine
  
  33.7%
- Afinidades de unión con una lista de 34 sitios de acoplamiento predefinidos. Estas afinidades se utilizan para calcular las similitudes de interacciones.
  
  AF-A5X5Y0
  
  AF-O95264
  
  AF-P08588
  
  AF-P08908
  
  AF-P13945
  
  AF-P18089
  
  AF-P21728
  
  AF-P21918
  
  AF-P25100
  
  AF-P28221
  
  AF-P28566
  
  AF-P46098
  
  AF-Q9Y2T6
  
  P08913_6KUX
  
  P14416_6CM4
  
  P18825_6KUW
  
  P21917_5WIU
  
  P28222_4IAR
  
  P28223_6WGT
  
  P28335_6BQH
  
  P35462_3PBL
  
  P41595_4IB4
Interacción de esta molécula con el metabolismo ?

Reacciones que metabolizan esta molécula

O-Hydroxylation of monosubstituted benzene

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP1A2, CYP2C8, CYP2C9, CYP2C19, CYP3A4

O-Hydroxylation of monosubstituted benzene

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP1A2, CYP2C8, CYP2C9, CYP2C19, CYP3A4

N-Oxidation of alicyclic tertiary amine

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP1A2, CYP2C8, CYP2C19, CYP2D6, CYP3A4

N-Dealkylation of alicyclic tertiary amine

Producto:

Metabolite: InChI=1S/C12H12...

Enzimas: CYP1A2, CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP3A4

N-Dealkylation of alicyclic tertiary amine

Producto:

Metabolite: trans-Phenmetra...

Metabolite: Phenmetrazine

Enzimas: CYP1A2, CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP3A4

N-Dealkylation of hydrazide

Producto:

InChI=1S/C22H25N3O2/...

Enzimas: CYP1A2, CYP2C8, CYP2C19, CYP2D6

Hydroxylation of benzene on carbon para to electron donating group

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP1A2, CYP2C8, CYP2C9, CYP2D6, CYP3A4

Hydroxylation of benzene on carbon para to electron donating group

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP1A2, CYP2C8, CYP2C9, CYP2D6, CYP3A4

Hydroxylation of heteroalicyclic secondary carbon

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP1A2, CYP2A6, CYP2C9, CYP2D6, CYP3A4

Hydroxylation of heteroalicyclic secondary carbon

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP1A2

Hydroxylation of heteroalicyclic secondary carbon

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP1A2

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

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP2B6, CYP2C19, CYP2D6

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

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP2B6, CYP2C19, CYP2D6

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

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP2B6, CYP2C19, CYP2D6

Hydroxylation of methyl carbon adjacent to aliphatic ring

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP3A4

Hydroxylation of methyl carbon adjacent to aliphatic ring

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP3A4

Reacciones que el metabolismo produce a partir de esta molécula

O-Hydroxylation of monosubstituted benzene

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP1A2, CYP2C8, CYP2C9, CYP2C19, CYP3A4

O-Hydroxylation of monosubstituted benzene

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP1A2, CYP2C8, CYP2C9, CYP2C19, CYP3A4

N-Oxidation of alicyclic tertiary amine

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP1A2, CYP2C8, CYP2C19, CYP2D6, CYP3A4

N-Dealkylation of alicyclic tertiary amine

Producto:

Metabolite: InChI=1S/C12H12...

Enzimas: CYP1A2, CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP3A4

N-Dealkylation of alicyclic tertiary amine

Producto:

Metabolite: trans-Phenmetra...

Metabolite: Phenmetrazine

Enzimas: CYP1A2, CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP3A4

N-Dealkylation of hydrazide

Producto:

InChI=1S/C22H25N3O2/...

Enzimas: CYP1A2, CYP2C8, CYP2C19, CYP2D6

Hydroxylation of benzene on carbon para to electron donating group

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP1A2, CYP2C8, CYP2C9, CYP2D6, CYP3A4

Hydroxylation of benzene on carbon para to electron donating group

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP1A2, CYP2C8, CYP2C9, CYP2D6, CYP3A4

Hydroxylation of heteroalicyclic secondary carbon

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP1A2, CYP2A6, CYP2C9, CYP2D6, CYP3A4

Hydroxylation of heteroalicyclic secondary carbon

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP1A2

Hydroxylation of heteroalicyclic secondary carbon

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP1A2

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

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP2B6, CYP2C19, CYP2D6

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

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP2B6, CYP2C19, CYP2D6

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

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP2B6, CYP2C19, CYP2D6

Hydroxylation of methyl carbon adjacent to aliphatic ring

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP3A4

Hydroxylation of methyl carbon adjacent to aliphatic ring

Producto:

InChI=1S/C23H27N3O3/...

Enzimas: CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, CYP3A4

Morazone

Morazone

Similitudes

Lixisenatide

F-G-G-F-T-G-A-R-K-S-...

F-G-G-F-T-G-A-R-K-S-...

F-G-G-F-T-G-Aib-R-K-...

FGGFTGARKSARKLADE

F-G-G-F-T-G-Aib-R-K-...

FGGFTGARKSARKLWNQ

NOCICEPTIN

Nociceptin

FGGFTGARKSARKLKNQ

FGGFTGARKSARKLRNQ

FGGFTGARKSARKLVNQ

F-G-G-F-T-G-A-R-K-S-...

F-G-G-F-T-G-A-R-K-S-...

F-G-G-F-T-G-Aib-R-K-...

FGGFTGARKSARKLFNQ

F-G-G-F-T-G-MeA-R-K-...

F-G-G-F-T-G-A-R-K-S-...

F-G-G-F-T-G-A-R-K-S-...

FGGFTGARKSARKLLNQ

FGGFTGARKSARKLYNQ

Dynorphin A

Dynorphin A

Leumorphin

F-G-G-F-T-G-MeA-R-K-...

F-G-G-F-T-G-A-R-K-S-...

F-G-G-F-T-G-A-R-K-S-...

Somatropin recombina...

CCK-33

Sifuvirtide

KW-5139

KW-5139

MOTILIN

quazepam

Quazepam

Quazepam

Quazepam

Indomethacin morphol...

BML-190

11-Hydroxy-Δ9-THC

11-Hydroxy-THC

6α-Chloro-17β-hydrox...

1-Methyl-LSD

N1-Methyl-lysergic a...

cloniprazepam

Cloniprazepam

Cloniprazepam

Ramatroban

Ramatroban

Ro-14-2652

Ethyl (2S)-3,3-dimet...

EMB-FUBINACA

Methyl (16E)-9-metho...

Methyl (16E)-9-metho...

Methyl (16E)-9-metho...

Mitragynine

Mitragynine

Speciociliatine

JWH-203

JWH-203

JWH-203

Ibogaine

Tabernanthe iboga (b...

ibogaine

Ibogaine

Epiibogaine

Ibogaine

Ibogaine

Ibogaine

Ibogaine

RB-64

RB-64

Cebranopadol

GRT-6005

Cebranopadol

Tofisopam

Dextofisopam