Detailed information for compound 618650

Basic information

Technical information
  • TDR Targets ID: 618650
  • Name: 2-[(2-naphthalen-1-ylacetyl)amino]-4,5,6,7-te trahydro-1-benzothiophene-3-carboxamide
  • MW: 364.461 | Formula: C21H20N2O2S
  • H donors: 2 H acceptors: 2 LogP: 4.61 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1cccc2c1cccc2)Nc1sc2c(c1C(=O)N)CCCC2
  • InChi: 1S/C21H20N2O2S/c22-20(25)19-16-10-3-4-11-17(16)26-21(19)23-18(24)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-2,5-9H,3-4,10-12H2,(H2,22,25)(H,23,24)
  • InChiKey: HHNFKBRSTGIHDQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[2-(1-naphthyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
  • 2-[[2-(1-naphthyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
  • 2-(2-naphthalen-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
  • Oprea1_118501
  • STOCK2S-78754
  • Oprea1_238000
  • ZINC00943179

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0068 0.1647 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0022 0.0184 0.009
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0026 0.0308 0.5
Schistosoma mansoni lipoxygenase 0.0082 0.2099 0.6387
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0117 0.3232 0.3167
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0043 0.0848 1
Schistosoma mansoni hypothetical protein 0.0022 0.0184 0.0283
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0043 0.0848 0.0761
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0068 0.1647 0.4946
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0068 0.165 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0184 0.0896
Leishmania major trypanothione reductase 0.0027 0.0327 0.1669
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0222 0.2342
Echinococcus multilocularis neuropeptide s receptor 0.0327 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0071 0.1736 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0222 0.1347
Loa Loa (eye worm) hypothetical protein 0.002 0.0095 0.0375
Mycobacterium ulcerans hypothetical protein 0.0024 0.0222 0.2342
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0222 0.2342
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0095 0.216
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0061 0.1431 0.8671
Echinococcus multilocularis GPCR, family 2 0.0022 0.0184 0.009
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0068 0.1647 0.4946
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0026 0.0308 0.0215
Brugia malayi Latrophilin receptor protein 2 0.0022 0.0184 0.0542
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0043 0.0848 0.5141
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0222 0.2342
Echinococcus multilocularis ubiquitin specific protease 41 0.0026 0.0308 0.0215
Schistosoma mansoni aldehyde dehydrogenase 0.0043 0.0848 0.2402
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0026 0.0308 0.0215
Loa Loa (eye worm) hypothetical protein 0.0024 0.0222 0.1122
Loa Loa (eye worm) thioredoxin reductase 0.0027 0.0327 0.1735
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0043 0.0848 0.0761
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0222 0.0777
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0026 0.0308 0.0678
Loa Loa (eye worm) hypothetical protein 0.0048 0.1018 0.5786
Loa Loa (eye worm) hypothetical protein 0.002 0.0095 0.0375
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0061 0.1431 0.8671
Toxoplasma gondii aldehyde dehydrogenase 0.0043 0.0848 0.2164
Echinococcus granulosus ubiquitin specific protease 41 0.0026 0.0308 0.0215
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0061 0.1431 0.8464
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0026 0.0308 0.0215
Trypanosoma brucei trypanothione reductase 0.0027 0.0327 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0222 0.1347
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0061 0.1431 0.8671
Brugia malayi latrophilin 2 splice variant baaae 0.0048 0.1018 0.5622
Mycobacterium tuberculosis Probable dehydrogenase 0.0061 0.1431 0.8671
Loa Loa (eye worm) latrophilin receptor protein 2 0.0022 0.0184 0.0896
Loa Loa (eye worm) doublecortin family protein 0.002 0.0095 0.0375
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0022 0.0184 0.009
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0222 0.2342
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.2737 0.8421
Brugia malayi Melibiase family protein 0.0068 0.1647 0.9454
Echinococcus granulosus GPCR family 2 0.0022 0.0184 0.009
Schistosoma mansoni hypothetical protein 0.0022 0.0184 0.0283
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.2737 0.8421
Mycobacterium ulcerans aldehyde dehydrogenase 0.0043 0.0848 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0031 0.0187
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0027 0.0327 0.1981
Trypanosoma cruzi trypanothione reductase, putative 0.0027 0.0327 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0222 0.2342
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0026 0.0308 0.0678
Echinococcus multilocularis neuropeptide receptor A26 0.0327 1 1
Loa Loa (eye worm) glutathione reductase 0.0027 0.0327 0.1735
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0222 0.0777
Brugia malayi Thioredoxin reductase 0.0027 0.0327 0.1413
Mycobacterium ulcerans aldehyde dehydrogenase 0.0043 0.0848 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0022 0.0184 0.009
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0068 0.165 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0222 0.1122
Schistosoma mansoni hypothetical protein 0.0048 0.1018 0.2942
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.2737 0.8421
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0022 0.0184 0.009
Plasmodium falciparum glutathione reductase 0.0027 0.0327 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0061 0.1431 0.8671
Schistosoma mansoni hypothetical protein 0.0022 0.0184 0.0283
Echinococcus granulosus thioredoxin glutathione reductase 0.0027 0.0338 0.0246
Schistosoma mansoni lipoxygenase 0.0117 0.3232 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0071 0.1736 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0308 0.1622
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0022 0.0184 0.0542
Loa Loa (eye worm) hypothetical protein 0.0068 0.1647 0.9474
Plasmodium vivax thioredoxin reductase, putative 0.0027 0.0327 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0102 0.2737 0.8421
Echinococcus granulosus neuropeptide receptor A26 0.0327 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.1736 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0222 0.1122
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0222 0.0777
Mycobacterium tuberculosis Probable oxidoreductase 0.0068 0.165 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0026 0.0308 0.1361
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0102 0.2737 0.2667
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0222 0.2342
Onchocerca volvulus 0.0024 0.0222 1
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0095 0.216
Mycobacterium tuberculosis Probable reductase 0.0061 0.1431 0.8671
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0102 0.2737 0.2667
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0068 0.165 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0043 0.0848 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0027 0.0338 0.0246
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0031 0.5
Plasmodium vivax glutathione reductase, putative 0.0027 0.0327 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0026 0.0308 1
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0102 0.2737 0.2667
Toxoplasma gondii melibiase subfamily protein 0.0102 0.2737 1
Plasmodium falciparum thioredoxin reductase 0.0027 0.0327 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0222 0.2342
Schistosoma mansoni hypothetical protein 0.0022 0.0184 0.0283
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0026 0.0308 0.1296
Brugia malayi glutathione reductase 0.0027 0.0327 0.1413
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0026 0.0308 0.0215
Schistosoma mansoni aldehyde dehydrogenase 0.0043 0.0848 0.2402
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0117 0.3232 0.3167
Brugia malayi Calcitonin receptor-like protein seb-1 0.0071 0.1736 1

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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