Detailed information for compound 781762

Basic information

Technical information
  • TDR Targets ID: 781762
  • Name: 3-(2-methoxyphenyl)-1-methyl-1-[(1-methylindo l-3-yl)methyl]thiourea
  • MW: 339.455 | Formula: C19H21N3OS
  • H donors: 1 H acceptors: 0 LogP: 3.25 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1NC(=S)N(Cc1cn(c2c1cccc2)C)C
  • InChi: 1S/C19H21N3OS/c1-21-12-14(15-8-4-6-10-17(15)21)13-22(2)19(24)20-16-9-5-7-11-18(16)23-3/h4-12H,13H2,1-3H3,(H,20,24)
  • InChiKey: VDOKPIWHKNWCTC-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(2-methoxyphenyl)-1-methyl-1-[(1-methyl-3-indolyl)methyl]thiourea

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
Plasmodium vivax glutathione reductase, putative 0.0143 0.0887 1
Echinococcus granulosus neuroligin 0.0187 0.1299 0.1299
Onchocerca volvulus 0.0187 0.1299 0.5
Echinococcus multilocularis carboxylesterase 5A 0.1106 1 1
Onchocerca volvulus 0.0187 0.1299 0.5
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0187 0.1299 1
Loa Loa (eye worm) acetylcholinesterase 1 0.1106 1 1
Brugia malayi Carboxylesterase family protein 0.0187 0.1299 0.1299
Loa Loa (eye worm) hypothetical protein 0.0187 0.1299 0.0452
Schistosoma mansoni BC026374 protein (S09 family) 0.0187 0.1299 0.1299
Brugia malayi Carboxylesterase family protein 0.0187 0.1299 0.1299
Loa Loa (eye worm) carboxylesterase 0.1106 1 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0187 0.1299 0.1299
Onchocerca volvulus 0.0187 0.1299 0.5
Loa Loa (eye worm) hypothetical protein 0.0187 0.1299 0.0452
Leishmania major trypanothione reductase 0.0143 0.0887 1
Onchocerca volvulus 0.0187 0.1299 0.5
Echinococcus granulosus para nitrobenzyl esterase 0.0187 0.1299 0.1299
Trypanosoma cruzi trypanothione reductase, putative 0.0143 0.0887 1
Loa Loa (eye worm) hypothetical protein 0.0187 0.1299 0.0452
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0187 0.1299 1
Treponema pallidum NADH oxidase 0.005 0 0.5
Echinococcus granulosus acetylcholinesterase 0.1106 1 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.005 0 0.5
Schistosoma mansoni neuroligin 3 (S09 family) 0.0187 0.1299 0.1299
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0143 0.0887 0.6831
Loa Loa (eye worm) hypothetical protein 0.0187 0.1299 0.0452
Echinococcus multilocularis acetylcholinesterase 0.1106 1 1
Loa Loa (eye worm) hypothetical protein 0.1106 1 1
Plasmodium falciparum thioredoxin reductase 0.0143 0.0887 1
Plasmodium vivax thioredoxin reductase, putative 0.0143 0.0887 1
Plasmodium falciparum glutathione reductase 0.0143 0.0887 1
Trypanosoma brucei trypanothione reductase 0.0143 0.0887 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0187 0.1299 0.1299
Loa Loa (eye worm) hypothetical protein 0.0187 0.1299 0.0452
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.005 0 0.5
Giardia lamblia NADH oxidase lateral transfer candidate 0.005 0 0.5
Brugia malayi hypothetical protein 0.0187 0.1299 0.1299
Schistosoma mansoni memapsin-2 (A01 family) 0.0438 0.3678 0.3678
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0187 0.1299 0.1299
Loa Loa (eye worm) hypothetical protein 0.0187 0.1299 0.0452
Schistosoma mansoni acetylcholinesterase 0.0187 0.1299 0.1299
Brugia malayi Thioredoxin reductase 0.0143 0.0887 0.0887
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0187 0.1299 0.1299
Echinococcus granulosus thioredoxin glutathione reductase 0.0143 0.0887 0.0887
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0187 0.1299 0.1299
Brugia malayi Carboxylesterase family protein 0.1106 1 1
Loa Loa (eye worm) hypothetical protein 0.0187 0.1299 0.0452
Echinococcus multilocularis neuroligin 0.0187 0.1299 0.1299
Echinococcus granulosus acetylcholinesterase 0.1106 1 1
Loa Loa (eye worm) hypothetical protein 0.1106 1 1
Loa Loa (eye worm) carboxylesterase 0.0187 0.1299 0.0452
Schistosoma mansoni gliotactin 0.0187 0.1299 0.1299
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0187 0.1299 1
Echinococcus granulosus BC026374 protein S09 family 0.0187 0.1299 0.1299
Loa Loa (eye worm) carboxylesterase 0.0187 0.1299 0.0452
Brugia malayi Carboxylesterase family protein 0.0187 0.1299 0.1299
Echinococcus multilocularis BC026374 protein (S09 family) 0.0187 0.1299 0.1299
Echinococcus multilocularis acetylcholinesterase 0.1106 1 1
Onchocerca volvulus 0.0187 0.1299 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.005 0 0.5
Echinococcus multilocularis para nitrobenzyl esterase 0.0187 0.1299 0.1299
Mycobacterium ulcerans carboxylesterase, LipT 0.0187 0.1299 1
Toxoplasma gondii thioredoxin reductase 0.0143 0.0887 1
Echinococcus granulosus carboxylesterase 5A 0.1106 1 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0187 0.1299 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1106 1 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0187 0.1299 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0143 0.0887 0.0887
Brugia malayi Carboxylesterase family protein 0.0187 0.1299 0.1299
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.005 0 0.5
Brugia malayi glutathione reductase 0.0143 0.0887 0.0887

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.