Detailed information for compound 540496

Basic information

Technical information
  • TDR Targets ID: 540496
  • Name: 2-[2-(ethylamino)-2-(3-methyl-2-thienyl)ethyl ]aniline
  • MW: 260.398 | Formula: C15H20N2S
  • H donors: 2 H acceptors: 0 LogP: 3.05 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNC(c1sccc1C)Cc1ccccc1N
  • InChi: 1S/C15H20N2S/c1-3-17-14(15-11(2)8-9-18-15)10-12-6-4-5-7-13(12)16/h4-9,14,17H,3,10,16H2,1-2H3
  • InChiKey: TZBFFNOXAYRULF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-(ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline
  • [2-(2-aminophenyl)-1-(3-methyl-2-thienyl)ethyl]-ethyl-amine
  • compound 8319
  • 2-[2-ethylamino-2-(3-methylthiophen-2-yl)ethyl]aniline
  • 2-[2-ethylamino-2-(3-methyl-2-thienyl)ethyl]aniline
  • 132194-86-6
  • 2-Thiophenemethanamide, alpha-((2-aminophenyl)methyl)-N-ethyl-3-methyl-
  • alpha-((2-Aminophenyl)methyl)-N-ethyl-3-methyl-2-thiophenemethanamide
  • 2-Amino-N-ethyl-alpha-(3-methyl-2-thienyl)benzeneethanamine

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
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.1177 0.1177
Echinococcus multilocularis DNA polymerase delta catalytic subunit 0.0078 0.3389 0.3389
Schistosoma mansoni DNA polymerase zeta catalytic subunit 0.0026 0.0472 0.0472
Echinococcus multilocularis dna polymerase epsilon catalytic subunit a 0.0026 0.0472 0.0472
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.0026 0.0472 0.0462
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0195 1 1
Toxoplasma gondii DNA polymerase family B protein 0.0026 0.0472 0.1366
Plasmodium vivax DNA polymerase epsilon, catalytic subunit a, putative 0.0026 0.0472 0.1366
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0195 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.2085 0.2085
Echinococcus granulosus DNA polymerase delta catalytic subunit 0.0078 0.3389 0.3389
Trypanosoma brucei DNA polymerase alpha catalytic subunit 0.0026 0.0472 0.0462
Brugia malayi DNA polymerase family B containing protein 0.0026 0.0472 0.0472
Loa Loa (eye worm) thioredoxin reductase 0.005 0.185 0.185
Entamoeba histolytica hypothetical protein 0.0038 0.1177 0.101
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0063 0.2592 0.2584
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.185 0.185
Entamoeba histolytica hypothetical protein 0.0038 0.1177 0.101
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.2085 0.2085
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0186 0.0519
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.001 0.001
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0195 1 1
Echinococcus granulosus dna polymerase epsilon catalytic subunit a 0.0026 0.0472 0.0472
Mycobacterium tuberculosis Probable reductase 0.0114 0.5456 0.8837
Trypanosoma brucei DNA polymerase epsilon catalytic subunit, putative 0.0026 0.0472 0.0462
Giardia lamblia DNA polymerase delta, catalytic subunit 0.0078 0.3389 0.3382
Entamoeba histolytica hypothetical protein 0.0038 0.1177 0.101
Toxoplasma gondii exonuclease III APE 0.0021 0.0186 0.0519
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.1177 0.1177
Echinococcus granulosus DNA polymerase zeta catalytic subunit 0.0026 0.0472 0.0472
Plasmodium vivax DNA polymerase zeta catalytic subunit, putative 0.0026 0.0472 0.1366
Brugia malayi hypothetical protein 0.0038 0.1177 0.1177
Plasmodium vivax thioredoxin reductase, putative 0.005 0.185 0.5444
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0186 0.0186
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0114 0.5456 0.8837
Leishmania major DNA polymerase I alpha catalytic subunit, putative 0.0026 0.0472 0.0462
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0195 1 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0127 0.6173 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0186 0.0186
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0026 0.0472 0.1366
Echinococcus multilocularis DNA polymerase zeta catalytic subunit 0.0026 0.0472 0.0472
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0026 0.0472 0.0462
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0026 0.0472 0.0462
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0195 1 1
Toxoplasma gondii thioredoxin reductase 0.005 0.185 0.5444
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0186 0.0175
Leishmania major DNA polymerase epsilon catalytic subunit, putative 0.0026 0.0472 0.0462
Echinococcus granulosus ubiquitin specific protease 41 0.0195 1 1
Schistosoma mansoni ap endonuclease 0.0021 0.0186 0.0186
Trypanosoma brucei DNA polymerase zeta catalytic subunit, putative 0.0026 0.0472 0.0462
Loa Loa (eye worm) DNA-directed DNA polymerase III 0.0078 0.3389 0.3389
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0186 0.0519
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0195 1 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.001 0.001
Brugia malayi DNA polymerase alpha catalytic subunit 0.0026 0.0472 0.0472
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0186 0.0175
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0186 0.0175
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0026 0.0472 0.0472
Entamoeba histolytica DNA polymerase delta catalytic subunit, putative 0.0078 0.3389 0.3264
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0026 0.0472 0.0472
Loa Loa (eye worm) glutathione reductase 0.005 0.185 0.185
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0114 0.5456 0.8837
Schistosoma mansoni hypothetical protein 0.0037 0.112 0.112
Trichomonas vaginalis DNA polymerase delta catalytic subunit, putative 0.0026 0.0472 0.0462
Echinococcus multilocularis geminin 0.018 0.9122 0.9122
Loa Loa (eye worm) hypothetical protein 0.0054 0.2085 0.2085
Loa Loa (eye worm) hypothetical protein 0.0037 0.112 0.112
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.001 0.001
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0114 0.5456 0.8837
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0195 1 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0195 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.2085 0.2085
Mycobacterium tuberculosis Probable oxidoreductase 0.0127 0.6173 1
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0026 0.0472 0.0462
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0186 1
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0186 0.0186
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0195 1 1
Loa Loa (eye worm) hypothetical protein 0.0195 1 1
Trypanosoma brucei trypanothione reductase 0.005 0.185 0.1841
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0195 1 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0186 0.0175
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0186 0.0175
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.001 0.001
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0026 0.0472 0.0472
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0195 1 1
Echinococcus multilocularis ubiquitin specific protease 41 0.0195 1 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0195 1 1
Plasmodium vivax DNA polymerase delta catalytic subunit, putative 0.0078 0.3389 1
Trypanosoma brucei DNA polymerase delta catalytic subunit, putative 0.0078 0.3389 0.3382
Loa Loa (eye worm) hypothetical protein 0.0026 0.0472 0.0472
Plasmodium vivax DNA polymerase alpha, putative 0.0026 0.0472 0.1366
Brugia malayi Thioredoxin reductase 0.005 0.185 0.185
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.185 0.1841
Mycobacterium tuberculosis Probable dehydrogenase 0.0114 0.5456 0.8837
Giardia lamblia DNA polymerase epsilon, catalytic subunit 0.0026 0.0472 0.0462
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0195 1 1
Schistosoma mansoni DNA polymerase delta catalytic subunit 0.0078 0.3389 0.3389
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0127 0.6173 1
Trichomonas vaginalis DNA polymerase II, putative 0.0026 0.0472 0.0462
Plasmodium falciparum DNA polymerase delta catalytic subunit 0.0078 0.3389 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0186 0.0284
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0114 0.5456 0.8837
Schistosoma mansoni ap endonuclease 0.0021 0.0186 0.0186
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0026 0.0472 0.0462
Leishmania major DNA polymerase delta catalytic subunit, putative 0.0078 0.3389 0.3382
Schistosoma mansoni DNA polymerase epsilon catalytic subunit 0.0026 0.0472 0.0472
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.1177 0.1177
Entamoeba histolytica hypothetical protein 0.0038 0.1177 0.101
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.112 0.112
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0186 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0186 0.0186
Brugia malayi DNA polymerase family B, exonuclease domain containing protein 0.0026 0.0472 0.0472
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0186 1
Brugia malayi DNA polymerase delta catalytic subunit 0.0078 0.3389 0.3389
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.001 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0186 0.0175
Trichomonas vaginalis conserved hypothetical protein 0.0195 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0186 0.0175
Plasmodium falciparum glutathione reductase 0.005 0.185 0.5444
Plasmodium vivax glutathione reductase, putative 0.005 0.185 0.5444
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.185 0.2985
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.185 0.185
Plasmodium falciparum thioredoxin reductase 0.005 0.185 0.5444
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0127 0.6173 1
Schistosoma mansoni hypothetical protein 0.0038 0.1177 0.1177
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0078 0.3389 0.3382
Trichomonas vaginalis DNA polymerase zeta catalytic subunit, putative 0.0078 0.3389 0.3382
Echinococcus granulosus geminin 0.018 0.9122 0.9122
Leishmania major trypanothione reductase 0.005 0.185 0.1841
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0195 1 1
Onchocerca volvulus DNA polymerase delta catalytic subunit homolog 0.0078 0.3389 1
Brugia malayi glutathione reductase 0.005 0.185 0.185
Toxoplasma gondii DNA polymerase 0.0078 0.3389 1
Schistosoma mansoni hypothetical protein 0.018 0.9122 0.9122
Schistosoma mansoni hypothetical protein 0.018 0.9122 0.9122

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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