Detailed information for compound 693346

Basic information

Technical information
  • TDR Targets ID: 693346
  • Name: N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-yle thyl]-4-nitrobenzamide
  • MW: 393.459 | Formula: C21H19N3O3S
  • H donors: 1 H acceptors: 3 LogP: 4.13 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)[N+](=O)[O-])NCC(N1CCc2c1cccc2)c1cccs1
  • InChi: 1S/C21H19N3O3S/c25-21(16-7-9-17(10-8-16)24(26)27)22-14-19(20-6-3-13-28-20)23-12-11-15-4-1-2-5-18(15)23/h1-10,13,19H,11-12,14H2,(H,22,25)
  • InChiKey: GCLDGTOHTHHINY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-indolin-1-yl-2-(2-thienyl)ethyl]-4-nitro-benzamide
  • N-[2-(1-indolinyl)-2-(2-thienyl)ethyl]-4-nitrobenzamide
  • N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-yl-ethyl]-4-nitro-benzamide

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
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1685 0.1685
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0126 0.0263
Loa Loa (eye worm) hypothetical protein 0.0034 0.0964 0.0964
Echinococcus granulosus intermediate filament protein 0.0027 0.0638 0.1331
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1497 0.1497
Loa Loa (eye worm) hypothetical protein 0.0016 0.0126 0.0126
Echinococcus granulosus WD repeat containing protein 48 0.0116 0.4796 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0126 0.0061
Brugia malayi intermediate filament protein 0.0027 0.0638 0.0577
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0066 0.0066
Schistosoma mansoni hypothetical protein 0.0034 0.0964 0.356
Schistosoma mansoni lamin 0.0027 0.0638 0.2177
Schistosoma mansoni intermediate filament proteins 0.0027 0.0638 0.2177
Echinococcus multilocularis WD repeat containing protein 48 0.0116 0.4796 1
Onchocerca volvulus 0.0027 0.0638 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0616 0.0616
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1497 0.3122
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1497 0.5829
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0126 0.0061
Echinococcus granulosus lamin dm0 0.0027 0.0638 0.1331
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0228 1 1
Echinococcus multilocularis lamin dm0 0.0027 0.0638 0.1331
Loa Loa (eye worm) hypothetical protein 0.0116 0.4796 0.4796
Schistosoma mansoni hypothetical protein 0.005 0.1722 0.6785
Brugia malayi Hypothetical WD-repeat protein F35G12.4 in chromosome III 0.0116 0.4796 0.4761
Toxoplasma gondii hypothetical protein 0.0066 0.2478 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1497 0.3122
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0638 0.0577
Echinococcus multilocularis lamin 0.0027 0.0638 0.1331
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1497 0.3122
Schistosoma mansoni hypothetical protein 0.005 0.1722 0.6785
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0126 0.0263
Loa Loa (eye worm) hypothetical protein 0.0049 0.1685 0.1685
Loa Loa (eye worm) hypothetical protein 0.0027 0.0638 0.0638
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1497 0.5829
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0126 0.0126
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0638 0.0638
Echinococcus granulosus GPCR family 2 0.0016 0.0126 0.0263
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1497 0.3122
Schistosoma mansoni hypothetical protein 0.0066 0.2478 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0964 0.0904
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0126 0.0263
Schistosoma mansoni lamin 0.0027 0.0638 0.2177
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0638 0.0638
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1685 0.163
Onchocerca volvulus 0.0027 0.0638 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0126 0.0263
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1497 0.1441
Echinococcus granulosus lamin 0.0027 0.0638 0.1331
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1497 0.5829
Echinococcus multilocularis GPCR, family 2 0.0016 0.0126 0.0263
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1685 0.163
Echinococcus multilocularis musashi 0.0027 0.0638 0.1331

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.