Detailed information for compound 832207

Basic information

Technical information
  • TDR Targets ID: 832207
  • Name: methyl 4-[(4-ethenylphenyl)methyl]thieno[2,3- d]pyrrole-5-carboxylate
  • MW: 297.372 | Formula: C17H15NO2S
  • H donors: 0 H acceptors: 1 LogP: 4.33 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cc2c(n1Cc1ccc(cc1)C=C)ccs2
  • InChi: 1S/C17H15NO2S/c1-3-12-4-6-13(7-5-12)11-18-14-8-9-21-16(14)10-15(18)17(19)20-2/h3-10H,1,11H2,2H3
  • InChiKey: SECRCPORCIDICJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 4-[(4-vinylphenyl)methyl]thieno[2,3-d]pyrrole-5-carboxylate
  • 4-[(4-vinylphenyl)methyl]-5-thieno[2,3-d]pyrrolecarboxylic acid methyl ester
  • 4-(4-vinylbenzyl)thieno[2,3-d]pyrrole-5-carboxylic acid methyl ester

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
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0037 0.016 0.0153
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0037 0.016 0.003
Trypanosoma cruzi vesicular transport protein (CDC48 homologue), putative 0.0035 0.0132 0.0000043848
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.016 0.003
Loa Loa (eye worm) hypothetical protein 0.0036 0.0145 0.0255
Loa Loa (eye worm) hypothetical protein 0.0036 0.0145 0.0255
Brugia malayi beta-lactamase family protein 0.0036 0.0145 0.0242
Trypanosoma brucei Valosin-containing protein 0.0645 0.9464 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0145 0.0138
Toxoplasma gondii cell division protein CDC48AP 0.0407 0.5823 0.5767
Loa Loa (eye worm) VCP protein 0.0281 0.3899 0.6843
Echinococcus granulosus fidgetin protein 1 0.0035 0.0132 0.0124
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0145 0.5
Echinococcus multilocularis vacuolar protein sorting associated protein 4A 0.0035 0.0132 0.0124
Trichomonas vaginalis proteasome-activating nucleotidase, putative 0.0161 0.2056 0.195
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0145 0.0138
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0471 0.0574
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.0645 0.9464 1
Brugia malayi fidgetin protein 0.0035 0.0132 0.0218
Echinococcus multilocularis fidgetin protein 1 0.0035 0.0132 0.0124
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0145 0.0138
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0145 0.0255
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0294 0.0287
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0145 0.0014
Plasmodium vivax cell division cycle ATPase, putative 0.0246 0.3363 0.3453
Trypanosoma cruzi vacuolar transport protein 4A, putative 0.0035 0.0132 0.0000043848
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.0471 0.0464
Schistosoma mansoni skd/vacuolar sorting 0.0035 0.0132 0.0124
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.0645 0.9464 1
Trypanosoma cruzi katanin, putative 0.0035 0.0132 0.0000043848
Brugia malayi beta-lactamase family protein 0.0036 0.0145 0.0242
Loa Loa (eye worm) fidgetin protein 0.0035 0.0132 0.0231
Brugia malayi vps4b-prov protein 0.0035 0.0132 0.0218
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0145 0.0014
Loa Loa (eye worm) hypothetical protein 0.0036 0.0145 0.0255
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0145 0.0015
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0037 0.016 0.0153
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0471 0.0574
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0294 0.0287
Echinococcus granulosus ubiquitin specific protease 41 0.0037 0.016 0.0153
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0294 0.0287
Loa Loa (eye worm) hypothetical protein 0.0122 0.1465 0.2571
Leishmania major hypothetical protein, conserved 0.0036 0.0145 0.0014
Echinococcus multilocularis katanin p60 ATPase containing subunit A1 0.0035 0.0132 0.0124
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0294 0.0516
Giardia lamblia AAA family ATPase 0.0407 0.5823 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0145 0.0014
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0145 0.0138
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0645 0.9464 0.9464
Brugia malayi ATPase, AAA family protein 0.0035 0.0132 0.0218
Brugia malayi follicle stimulating hormone receptor 0.0231 0.3129 0.5485
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0294 0.0287
Schistosoma mansoni hypothetical protein 0.0035 0.0132 0.0124
Mycobacterium tuberculosis Putative conserved ATPase 0.0407 0.5823 1
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.016 0.003
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0294 0.0503
Loa Loa (eye worm) hypothetical protein 0.0036 0.0145 0.0255
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0145 0.0014
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0037 0.016 0.0153
Trypanosoma cruzi katanin, putative 0.0035 0.0132 0.0000043848
Brugia malayi hypothetical protein 0.0122 0.1465 0.2561
Toxoplasma gondii ABC1 family protein 0.0036 0.0145 0.0014
Brugia malayi beta-lactamase 0.0036 0.0145 0.0242
Onchocerca volvulus 0.0036 0.0145 0.0138
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0471 0.0464
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.3105 0.5212
Echinococcus granulosus vacuolar protein sorting associated protein 4A 0.0035 0.0132 0.0124
Loa Loa (eye worm) hypothetical protein 0.0036 0.0145 0.0255
Brugia malayi SAP1 protein 0.0035 0.0132 0.0218
Onchocerca volvulus Huntingtin homolog 0.0122 0.1465 0.1458
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0145 0.0014
Trypanosoma cruzi katanin-like protein, putative 0.0035 0.0132 0.0000043848
Trypanosoma cruzi metalloprotease, putative 0.0035 0.0132 0.0000043848
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0037 0.016 0.0153
Onchocerca volvulus 0.0036 0.0145 0.0138
Loa Loa (eye worm) ATPase 0.0035 0.0132 0.0231
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.016 0.003
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0037 0.016 0.0029
Echinococcus multilocularis ubiquitin specific protease 41 0.0037 0.016 0.0153
Trypanosoma cruzi katanin, putative 0.0035 0.0132 0.0000043848
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.016 0.0029
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0008 0.0013
Echinococcus granulosus katanin p60 ATPase containing subunit A1 0.0035 0.0132 0.0124
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.0645 0.9464 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0057 0.0471 0.0364
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0037 0.016 0.0268
Loa Loa (eye worm) vesicle-fusing ATPase 0.0399 0.5698 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.0471 0.0815
Brugia malayi vesicle-fusing ATPase 0.0399 0.5698 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.016 0.0281
Trichomonas vaginalis spermatogenesis associated factor, putative 0.068 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0294 0.0287
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0281 0.3899 0.3894
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0037 0.016 0.0153
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0412 0.0724
Brugia malayi valosin containing protein 0.0399 0.5698 1
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0037 0.016 0.0153
Toxoplasma gondii transitional endoplasmic reticulum ATPase, putative 0.0407 0.5823 0.5767
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0231 0.3129 0.5491
Trypanosoma cruzi Valosin-containing protein, putative 0.0645 0.9464 1
Loa Loa (eye worm) beta-lactamase 0.0036 0.0145 0.0255
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0294 0.0287
Loa Loa (eye worm) hypothetical protein 0.0027 0.0008 0.0013
Mycobacterium leprae Probable lipase LipE 0.0036 0.0145 0.5
Loa Loa (eye worm) hypothetical protein 0.0399 0.5698 1
Loa Loa (eye worm) vps4b-prov protein 0.0035 0.0132 0.0231
Trypanosoma cruzi vacuolar protein sorting-associated protein 4, putative 0.0035 0.0132 0.0000043848
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0145 0.0015
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0294 0.0287
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0281 0.3899 0.3894
Mycobacterium ulcerans ATPase 0.0407 0.5823 1
Trypanosoma cruzi katanin, putative 0.0035 0.0132 0.0000043848
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0008 0.0013
Entamoeba histolytica cdc48-like protein, putative 0.0645 0.9464 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0145 0.0014
Trypanosoma cruzi katanin, putative 0.0035 0.0132 0.0000043848
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.0645 0.9464 1
Schistosoma mansoni cell division control protein 48 aaa family protein 0.068 1 1
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.068 1 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0037 0.016 0.0029
Toxoplasma gondii cell division protein CDC48CY 0.068 1 1
Onchocerca volvulus Huntingtin homolog 0.0122 0.1465 0.1458
Brugia malayi transitional endoplasmic reticulum ATPase TER94, putative 0.0281 0.3899 0.6838
Trichomonas vaginalis esterase, putative 0.0036 0.0145 0.0014
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0471 0.0464
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0037 0.016 0.003
Trichomonas vaginalis 26S protease regulatory subunit S10b, putative 0.0161 0.2056 0.195
Onchocerca volvulus 0.0036 0.0145 0.0138
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0145 0.0242
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0037 0.016 0.005
Loa Loa (eye worm) hypothetical protein 0.0122 0.1465 0.2571
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.068 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0057 0.0471 0.0574
Loa Loa (eye worm) hypothetical protein 0.0036 0.0145 0.0255

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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