Detailed information for compound 846262

Basic information

Technical information
  • TDR Targets ID: 846262
  • Name: methyl 2-methyl-4-[(4-methylphenyl)methyl]thi eno[2,3-d]pyrrole-5-carboxylate
  • MW: 299.387 | Formula: C17H17NO2S
  • H donors: 0 H acceptors: 1 LogP: 4.31 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1cc2c(n1Cc1ccc(cc1)C)cc(s2)C
  • InChi: 1S/C17H17NO2S/c1-11-4-6-13(7-5-11)10-18-14-8-12(2)21-16(14)9-15(18)17(19)20-3/h4-9H,10H2,1-3H3
  • InChiKey: GLSRNCRFSCEORS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-methyl-4-[(4-methylphenyl)methyl]-5-thieno[2,3-d]pyrrolecarboxylic acid methyl ester
  • 2-methyl-4-(4-methylbenzyl)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 beta LACTamase domain containing family member 0.0071 0.1312 0.1312
Loa Loa (eye worm) hypothetical protein 0.0071 0.1312 0.1308
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0679 0.5154
Mycobacterium tuberculosis Probable lipase LipE 0.0071 0.1312 0.0024
Echinococcus granulosus sodium and chloride dependent glycine 0.004 0.062 0.062
Treponema pallidum sodium- and chloride- dependent transporter 0.0234 0.4856 0.5
Echinococcus granulosus serotonin transporter 0.0234 0.4856 0.4856
Echinococcus multilocularis Chromobox protein 3 0.0011 0.0005 0.0005
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.004 0.062 0.0732
Loa Loa (eye worm) hypothetical protein 0.0234 0.4856 0.4854
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0.0005 0.0006
Loa Loa (eye worm) hypothetical protein 0.0175 0.3582 0.3579
Loa Loa (eye worm) hypothetical protein 0.004 0.062 0.0616
Loa Loa (eye worm) kinesin-like protein KLP2 0.0026 0.033 0.0325
Giardia lamblia Kinesin-5 0.0026 0.033 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0362 0.2735
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0011 0.0005 0.0006
Echinococcus granulosus Chromobox protein 3 0.0011 0.0005 0.0005
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.007 0.1292 0.1292
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.019 0.3895 0.3895
Echinococcus granulosus cpg binding protein 0.003 0.04 0.04
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0018 0.0143 0.106
Leishmania major hypothetical protein, conserved 0.0071 0.1312 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.004 0.062 0.0732
Echinococcus granulosus uncharacterized sodium dependent transporter 0.004 0.062 0.062
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0613 0.4655
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0143 0.106
Brugia malayi Sodium:neurotransmitter symporter family protein 0.004 0.062 0.0616
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0805 0.0805
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0805 0.08
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0362 0.2735
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0143 0.106
Echinococcus granulosus uncharacterized sodium dependent transporter 0.004 0.062 0.062
Onchocerca volvulus 0.0048 0.0805 0.1649
Loa Loa (eye worm) hypothetical protein 0.0025 0.0303 0.0298
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.004 0.062 0.0732
Mycobacterium ulcerans hypothetical protein 0.0071 0.1312 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0303 0.4842
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0456 0.9709 1
Schistosoma mansoni hypothetical protein 0.0292 0.6142 0.7255
Echinococcus multilocularis survival motor neuron protein 1 0.0469 1 1
Schistosoma mansoni sodium/chloride dependent transporter 0.004 0.062 0.0732
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0234 0.4856 0.5736
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0143 0.106
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0011 0.0005 0.0005
Schistosoma mansoni sodium/chloride dependent transporter 0.0234 0.4856 0.5736
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.1292 0.1526
Loa Loa (eye worm) hypothetical protein 0.004 0.062 0.0616
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0805 0.095
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0012 0.0018 0.0021
Toxoplasma gondii aldehyde dehydrogenase 0.007 0.1292 0.9848
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0071 0.1312 0.0024
Loa Loa (eye worm) hypothetical protein 0.0031 0.0428 0.0423
Loa Loa (eye worm) hypothetical protein 0.0071 0.1312 0.1308
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.2722 0.2722
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.1312 1
Echinococcus multilocularis dnaJ subfamily B 0.0399 0.8466 0.8466
Loa Loa (eye worm) hypothetical protein 0.0071 0.1312 0.1308
Loa Loa (eye worm) hypothetical protein 0.0469 1 1
Loa Loa (eye worm) beta-lactamase 0.0071 0.1312 0.1308
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0136 0.2722 0.2718
Echinococcus granulosus endonuclease exonuclease phosphatase 0.019 0.3895 0.3895
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.004 0.062 0.4706
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.2722 0.3215
Plasmodium vivax hypothetical protein, conserved 0.0071 0.1312 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.1312 0.155
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.004 0.062 0.062
Onchocerca volvulus 0.0071 0.1312 0.2694
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.004 0.062 0.4706
Loa Loa (eye worm) MBCTL1 0.0055 0.095 0.0946
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.2722 0.2722
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0013 0.004 0.004
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0013 0.004 0.004
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0913 0.6946
Mycobacterium tuberculosis Probable esterase LipL 0.0071 0.1312 0.0024
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0613 0.4655
Brugia malayi CXXC zinc finger family protein 0.0028 0.0366 0.0361
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.1287 0.1283
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.1312 1
Loa Loa (eye worm) CHromoDomain protein family member 0.0013 0.004 0.0035
Entamoeba histolytica kinesin, putative 0.0026 0.033 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0679 0.1389
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0805 0.0805
Echinococcus granulosus sodium and chloride dependent glycine 0.004 0.062 0.062
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0011 0.0005 0.0006
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0069 0.0491
Mycobacterium leprae conserved hypothetical protein 0.0071 0.1312 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.1312 1
Schistosoma mansoni hypothetical protein 0.0011 0.0005 0.0006
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.2722 0.3215
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0805 0.095
Echinococcus multilocularis chromobox protein 1 0.007 0.1287 0.1287
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.004 0.062 0.062
Loa Loa (eye worm) hypothetical protein 0.004 0.062 0.0616
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.004 0.062 0.0732
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0011 0.0005 0.0005
Echinococcus multilocularis Chromo domain 0.0011 0.0005 0.0005
Echinococcus granulosus dnaJ subfamily B 0.0399 0.8466 0.8466
Onchocerca volvulus 0.004 0.062 0.1268
Loa Loa (eye worm) hypothetical protein 0.0048 0.0805 0.08
Mycobacterium ulcerans lipase LipD 0.0071 0.1312 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0071 0.1312 0.0024
Mycobacterium ulcerans beta-lactamase 0.0071 0.1312 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0303 0.2279
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.1312 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0805 0.0805
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.1312 0.155
Brugia malayi hypothetical protein 0.004 0.062 0.0616
Loa Loa (eye worm) norepinephrine transporter 0.0234 0.4856 0.4854
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0018 0.0143 0.106
Plasmodium vivax hypothetical protein, conserved 0.004 0.062 0.4706
Echinococcus multilocularis kinesin family 1 0.0203 0.4187 0.4187
Toxoplasma gondii ABC1 family protein 0.0071 0.1312 1
Mycobacterium leprae Probable lipase LipE 0.0071 0.1312 0.5
Onchocerca volvulus 0.0071 0.1312 0.2694
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0013 0.004 0.0047
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0143 0.106
Loa Loa (eye worm) hypothetical protein 0.0234 0.4856 0.4854
Schistosoma mansoni hypothetical protein 0.0096 0.1844 0.2178
Echinococcus granulosus kinesin family 1 0.0203 0.4187 0.4187
Onchocerca volvulus 0.004 0.062 0.1268
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0096 0.1844 0.184
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0015 0.0079 0.0569
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.1312 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.004 0.062 0.0732
Echinococcus granulosus survival motor neuron protein 1 0.0469 1 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0071 0.1312 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.004 0.062 0.0616
Schistosoma mansoni survival motor neuron protein 0.0096 0.1844 0.2178
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0071 0.1312 0.1308
Echinococcus multilocularis cpg binding protein 0.003 0.04 0.04
Brugia malayi Heterochromatin protein 1 0.007 0.1287 0.1283
Schistosoma mansoni sodium/chloride dependent transporter 0.004 0.062 0.0732
Onchocerca volvulus 0.004 0.062 0.1268
Brugia malayi beta-lactamase 0.0071 0.1312 0.1308
Schistosoma mansoni chromobox protein 0.007 0.1287 0.152
Trypanosoma brucei hypothetical protein, conserved 0.0071 0.1312 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.004 0.062 0.4706
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0079 0.0569
Loa Loa (eye worm) hypothetical protein 0.004 0.062 0.0616
Brugia malayi CHD4 protein 0.0013 0.004 0.0035
Brugia malayi hypothetical protein 0.0025 0.0303 0.0298
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.007 0.1292 0.9803
Schistosoma mansoni hypothetical protein 0.0399 0.8466 1
Loa Loa (eye worm) serotonin transporter b 0.0234 0.4856 0.4854
Plasmodium vivax kinesin-5 0.0026 0.033 0.2486
Onchocerca volvulus 0.0012 0.0018 0.0028
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.1292 0.1526
Echinococcus multilocularis chromobox protein 2 0.0011 0.0005 0.0005
Plasmodium falciparum kinesin-5 0.0026 0.033 0.5282
Brugia malayi beta-lactamase family protein 0.0071 0.1312 0.1308
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0071 0.1312 0.1308
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0366 0.0361
Mycobacterium tuberculosis Conserved protein 0.0071 0.1312 0.0024
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.004 0.062 0.062
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.1051 0.1242
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.2722 0.3215
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.004 0.062 0.062
Echinococcus granulosus Chromo domain 0.0011 0.0005 0.0005
Trichomonas vaginalis esterase, putative 0.0071 0.1312 1
Brugia malayi hypothetical protein 0.0016 0.0108 0.0103
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0143 0.106
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.1312 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.004 0.062 0.0616
Loa Loa (eye worm) hypothetical protein 0.0071 0.1312 0.1308
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.004 0.062 0.0616
Plasmodium falciparum amino acid transporter, putative 0.004 0.062 1
Toxoplasma gondii kinesin motor domain-containing protein 0.0026 0.033 0.2486
Brugia malayi hypothetical protein 0.0175 0.3582 0.3579
Schistosoma mansoni cpg binding protein 0.003 0.04 0.0473
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.095 0.1122
Echinococcus granulosus beta LACTamase domain containing family member 0.0071 0.1312 0.1312
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.095 0.095
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.004 0.062 0.5
Loa Loa (eye worm) solute carrier family 6 member 4 0.0234 0.4856 0.4854
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0136 0.2722 0.2718
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.004 0.062 0.0616
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.004 0.062 0.0732
Trichomonas vaginalis chromobox protein, putative 0.007 0.1287 0.9808
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.1312 1
Loa Loa (eye worm) hypothetical protein 0.004 0.062 0.0616
Echinococcus multilocularis chromobox protein 1 0.007 0.1287 0.1287
Brugia malayi chromobox protein homolog 3 0.0039 0.0613 0.0609
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0143 0.106
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.004 0.062 0.062
Brugia malayi mbt repeat family protein 0.0048 0.0805 0.08
Brugia malayi beta-lactamase family protein 0.0071 0.1312 0.1308
Schistosoma mansoni chromobox protein 0.0011 0.0005 0.0006
Brugia malayi Sodium:neurotransmitter symporter family protein 0.004 0.062 0.0616
Schistosoma mansoni kinesin eg-5 0.0026 0.033 0.0389
Schistosoma mansoni cpg binding protein 0.003 0.04 0.0473
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.095 0.095
Loa Loa (eye worm) hypothetical protein 0.004 0.062 0.0616
Mycobacterium ulcerans esterase/lipase LipP 0.0071 0.1312 1
Brugia malayi Kinesin motor domain containing protein 0.0026 0.033 0.0325
Toxoplasma gondii hypothetical protein 0.004 0.062 0.4706
Loa Loa (eye worm) hypothetical protein 0.0039 0.0613 0.0609
Loa Loa (eye worm) hypothetical protein 0.004 0.062 0.0616
Mycobacterium tuberculosis Conserved protein 0.0071 0.1312 0.0024
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 0.1292 0.1292
Brugia malayi mbt repeat family protein 0.0048 0.0805 0.08
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0234 0.4856 0.4854
Echinococcus granulosus chromobox protein 1 0.007 0.1287 0.1287
Schistosoma mansoni hypothetical protein 0.0177 0.3611 0.4265
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0303 0.2279
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.2722 0.2722
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.095 0.095
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0071 0.1312 0.0024
Loa Loa (eye worm) hypothetical protein 0.0071 0.1312 0.1308
Schistosoma mansoni chromobox protein 0.0011 0.0005 0.0006
Loa Loa (eye worm) hypothetical protein 0.0234 0.4856 0.4854
Trichomonas vaginalis chromobox protein, putative 0.007 0.1287 0.9808
Plasmodium falciparum transporter, putative 0.004 0.062 1
Onchocerca volvulus 0.0028 0.0366 0.0744
Mycobacterium tuberculosis Probable hydrolase 0.0071 0.1312 0.0024
Onchocerca volvulus 0.0071 0.1312 0.2694
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.095 0.095
Echinococcus granulosus chromobox protein 1 0.007 0.1287 0.1287
Onchocerca volvulus 0.0096 0.1844 0.379
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.004 0.062 0.0732
Echinococcus multilocularis serotonin transporter 0.0234 0.4856 0.4856
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0805 0.095
Toxoplasma gondii hypothetical protein 0.004 0.062 0.4706
Brugia malayi SET domain containing protein 0.0012 0.0018 0.0013
Onchocerca volvulus 0.0031 0.0428 0.0871
Echinococcus granulosus chromobox protein 2 0.0011 0.0005 0.0005
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0805 0.0805
Plasmodium vivax amine transporter, putative 0.004 0.062 0.4706
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0679 0.5154
Onchocerca volvulus 0.0234 0.4856 1
Schistosoma mansoni chromobox protein 0.007 0.1287 0.152
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0613 0.1254
Schistosoma mansoni cpg binding protein 0.0028 0.0366 0.0432
Loa Loa (eye worm) hypothetical protein 0.0055 0.095 0.0946
Mycobacterium tuberculosis Probable lipase LipD 0.0071 0.1312 0.0024
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.004 0.062 0.0732
Onchocerca volvulus 0.0175 0.3582 0.7374
Echinococcus multilocularis sodium and chloride dependent glycine 0.004 0.062 0.062
Mycobacterium tuberculosis Conserved protein 0.0071 0.1312 0.0024
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0303 0.4842
Loa Loa (eye worm) hypothetical protein 0.0071 0.1312 0.1308
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0805 0.1649
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.2722 0.2722
Echinococcus multilocularis sodium and chloride dependent glycine 0.004 0.062 0.062
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.095 0.0946
Schistosoma mansoni sodium-dependent amino acid transporter 0.004 0.062 0.0732

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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