Detailed information for compound 1179292

Basic information

Technical information
  • TDR Targets ID: 1179292
  • Name: (5-thiophen-2-ylthiophen-2-yl)methanamine
  • MW: 195.304 | Formula: C9H9NS2
  • H donors: 1 H acceptors: 0 LogP: 1.87 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCc1ccc(s1)c1cccs1
  • InChi: 1S/C9H9NS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5H,6,10H2
  • InChiKey: FHYTVXBZSXZMGD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [5-(2-thienyl)-2-thienyl]methanamine
  • [5-(2-thienyl)-2-thienyl]methylamine
  • CC 14613
  • SDCCGMLS-0065983.P001

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 lysosomal protective protein precursor (cathepsin A) (carboxypeptidase 0.0242 0.0922 0.0918
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0009 0.0005
Brugia malayi nuclear hormone receptor 0.002 0.0009 0.0005
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0112 0.0107
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0303 0.1174 0.1174
Trypanosoma brucei pyruvate kinase 1, putative 0.0203 0.0762 0.0758
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0005 0.0005
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0009 0.0005
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0009 0.0005
Echinococcus multilocularis pyruvate kinase 0.0104 0.0355 0.0351
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0009 0.0005
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0024 0.0027 0.0023
Loa Loa (eye worm) hypothetical protein 0.002 0.0009 0.0005
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0023 0.002 0.0015
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0009 0.0005
Echinococcus multilocularis serine protein kinase ATM 0.0024 0.0027 0.0023
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0061 0.018 0.0175
Echinococcus granulosus pyruvate kinase 0.0203 0.0762 0.0758
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0009 0.0005
Trypanosoma cruzi pyruvate kinase 2, putative 0.0203 0.0762 0.0762
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0159 0.0581 0.7609
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0102 0.0102
Leishmania major mitochondrial DNA polymerase beta 0.0303 0.1174 0.1174
Giardia lamblia Pyruvate kinase 0.0203 0.0762 1
Brugia malayi pyruvate kinase 0.0043 0.0103 0.0098
Echinococcus granulosus pyruvate kinase 0.0104 0.0355 0.0351
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0009 0.0005
Onchocerca volvulus Pyruvate kinase homolog 0.0203 0.0762 0.0753
Chlamydia trachomatis pyruvate kinase 0.0203 0.0762 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0092 0.0305 0.3964
Echinococcus multilocularis pyruvate kinase 0.0203 0.0762 0.0758
Brugia malayi acetyltransferase, GNAT family protein 0.0312 0.1212 0.1208
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0009 0.0005
Onchocerca volvulus 0.005 0.0133 0.0124
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0023 0.002 0.0015
Loa Loa (eye worm) hypothetical protein 0.002 0.0009 0.0005
Loa Loa (eye worm) hypothetical protein 0.002 0.0009 0.0005
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0009 0.0005
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.2204 0.9004 0.9004
Echinococcus multilocularis pyruvate kinase 0.0104 0.0355 0.0351
Plasmodium falciparum pyruvate kinase 2 0.0104 0.0355 0.4633
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0102 0.0102
Trypanosoma brucei pyruvate kinase 1 0.0203 0.0762 0.0758
Echinococcus granulosus histone acetyltransferase KAT2B 0.0092 0.0305 0.03
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0009 0.0005
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0159 0.0581 0.547
Schistosoma mansoni coup transcription factor 0.002 0.0009 0.0005
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0009 0.0005
Loa Loa (eye worm) hypothetical protein 0.002 0.0009 0.0005
Plasmodium vivax pyruvate kinase, putative 0.0203 0.0762 1
Trichomonas vaginalis pyruvate kinase, putative 0.0203 0.0762 0.719
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0143 0.0517 0.0513
Echinococcus multilocularis tumor protein p63 0.0343 0.1338 0.1334
Loa Loa (eye worm) acetyltransferase 0.0312 0.1212 0.1208
Echinococcus multilocularis ornithine aminotransferase 0.0023 0.002 0.0015
Schistosoma mansoni pyruvate kinase 0.0203 0.0762 0.0758
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0112 0.0107
Echinococcus granulosus tumor protein p63 0.0343 0.1338 0.1334
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0009 0.0005
Loa Loa (eye worm) pyruvate kinase 0.0043 0.0103 0.0098
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0009 0.0005
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0023 0.002 0.0145
Trichomonas vaginalis glutaminase, putative 0.0275 0.1058 1
Loa Loa (eye worm) hypothetical protein 0.0141 0.0509 0.0505
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0023 0.002 0.0202
Plasmodium falciparum histone acetyltransferase GCN5 0.0084 0.0273 0.3549
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0112 0.0107
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0009 0.0005
Schistosoma mansoni thyroid hormone receptor 0.002 0.0009 0.0005
Loa Loa (eye worm) hypothetical protein 0.0021 0.0013 0.0009
Brugia malayi ecdysteroid receptor 0.002 0.0009 0.0005
Toxoplasma gondii hypothetical protein 0.0049 0.0128 0.1631
Plasmodium vivax ornithine aminotransferase, putative 0.0023 0.002 0.0202
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0009 0.0005
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0112 0.0107
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0009 0.0005
Entamoeba histolytica acetyltransferase, GNAT family 0.0084 0.0273 0.5325
Echinococcus granulosus GA binding protein alpha chain 0.0074 0.0232 0.0227
Echinococcus granulosus family S10 non peptidase ue S10 family 0.2204 0.9004 0.9004
Loa Loa (eye worm) pyruvate kinase-PB 0.0141 0.0509 0.0505
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0009 0.0005
Giardia lamblia Pyruvate kinase 0.0104 0.0355 0.4633
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0023 0.002 1
Leishmania major pyruvate kinase 0.0203 0.0762 0.0762
Onchocerca volvulus Pyruvate kinase homolog 0.0203 0.0762 0.0753
Schistosoma mansoni pyruvate kinase 0.0104 0.0355 0.0351
Echinococcus granulosus FTZ F1 alpha 0.002 0.0009 0.0005
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0009 0.0005
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0092 0.0305 0.3964
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0009 0.0005
Brugia malayi Pyruvate kinase, muscle isozyme 0.0203 0.0762 0.0758
Echinococcus granulosus histone acetyltransferase KAT2B 0.0303 0.1176 0.1172
Mycobacterium ulcerans hypothetical protein 0.016 0.0584 0.5501
Echinococcus multilocularis pyruvate kinase 0.0104 0.0355 0.0351
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0009 0.0005
Brugia malayi Fli-1 protein 0.0225 0.0852 0.0848
Loa Loa (eye worm) hypothetical protein 0.002 0.0009 0.0005
Trichomonas vaginalis pyruvate kinase, putative 0.0203 0.0762 0.719
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.002 0.0009 0.0005
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0312 0.1212 0.1208
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0023 0.002 0.0202
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0009 0.0005
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0133 0.0129
Onchocerca volvulus Pyruvate kinase homolog 0.0203 0.0762 0.0753
Loa Loa (eye worm) pyruvate kinase 0.0203 0.0762 0.0758
Leishmania major pyruvate kinase 0.0203 0.0762 0.0762
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0009 0.0005
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0009 0.0005
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0092 0.0305 0.3964
Loa Loa (eye worm) pyruvate kinase 0.0203 0.0762 0.0758
Brugia malayi Ets-domain containing protein 0.0074 0.0232 0.0227
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0009 0.0005
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0159 0.0581 0.7559
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0009 0.0005
Echinococcus multilocularis pyruvate kinase 0.0203 0.0762 0.0758
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0009 0.0005
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0009 0.0005
Loa Loa (eye worm) hypothetical protein 0.005 0.0133 0.0129
Echinococcus multilocularis Aminotransferase class III 0.0023 0.002 0.0015
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0112 0.0107
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0024 0.0027 0.0023
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0005 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0112 0.0107
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0112 0.0107
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0023 0.002 0.0202
Echinococcus granulosus serine protein kinase ATM 0.0024 0.0027 0.0023
Schistosoma mansoni gabp alpha 0.0074 0.0232 0.0227
Brugia malayi pyruvate kinase, muscle isozyme 0.0043 0.0103 0.0098
Loa Loa (eye worm) hypothetical protein 0.0063 0.0187 0.0183
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0303 0.1174 0.117
Brugia malayi nuclear receptor NHR-88 0.002 0.0009 0.0005
Echinococcus granulosus ornithine aminotransferase 0.0023 0.002 0.0015
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0009 0.0005
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0009 0.0005
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0023 0.002 0.0145
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0009 0.0005
Brugia malayi Ets-domain containing protein 0.0074 0.0232 0.0227
Toxoplasma gondii FATC domain-containing protein 0.0024 0.0027 0.0299
Echinococcus granulosus Aminotransferase class III 0.0023 0.002 0.0015
Echinococcus granulosus pyruvate kinase 0.0203 0.0762 0.0758
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.0141 0.0141
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0074 0.0232 0.0227
Echinococcus multilocularis GA binding protein alpha chain 0.0074 0.0232 0.0227
Plasmodium vivax pyruvate kinase 2, putative 0.0104 0.0355 0.4633
Schistosoma mansoni ets-related 0.0225 0.0852 0.0848
Trichomonas vaginalis bromodomain-containing protein, putative 0.0092 0.0305 0.285
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0112 0.0107
Mycobacterium ulcerans glutaminase 0.0275 0.1058 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0009 0.0005
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0009 0.0005
Loa Loa (eye worm) hypothetical protein 0.002 0.0009 0.0005
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0009 0.0005
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0009 0.0005
Echinococcus granulosus pyruvate kinase 0.0104 0.0355 0.0351
Schistosoma mansoni pyruvate kinase 0.0203 0.0762 0.0758
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0005 0.0005
Mycobacterium ulcerans hypothetical protein 0.0159 0.0581 0.547
Schistosoma mansoni glutaminase 0.0275 0.1058 0.1054
Brugia malayi Pyruvate kinase, M2 isozyme 0.0203 0.0762 0.0758
Brugia malayi steroid hormone receptor 0.002 0.0009 0.0005
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0023 0.002 0.0202
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0023 0.002 0.0202
Trypanosoma cruzi pyruvate kinase 2, putative 0.0203 0.0762 0.0762
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0023 0.002 0.0145
Toxoplasma gondii pyruvate kinase PyK1 0.0203 0.0762 1
Brugia malayi glutaminase DH11.1 0.0275 0.1058 0.1054
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0009 0.0005
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0009 0.0005
Loa Loa (eye worm) pyruvate kinase 0.0203 0.0762 0.0758
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0092 0.0305 0.285
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0009 0.0005
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0024 0.0027 0.0027
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0009 0.0005
Plasmodium falciparum pyruvate kinase 0.0203 0.0762 1
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0023 0.002 0.0145
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0159 0.0581 0.547
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0009 0.0005
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0009 0.0005
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0009 0.0005
Loa Loa (eye worm) hypothetical protein 0.0203 0.0762 0.0758
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0143 0.0517 0.0517
Loa Loa (eye worm) glutaminase 0.0275 0.1058 0.1054
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0024 0.0027 0.0023
Plasmodium falciparum ornithine aminotransferase 0.0023 0.002 0.0202
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0009 0.0005
Mycobacterium ulcerans pyruvate kinase 0.0203 0.0762 0.719
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.0102 0.0098
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0009 0.0005
Echinococcus multilocularis pyruvate kinase 0.016 0.0586 0.0582
Entamoeba histolytica pyruvate kinase, putative 0.0141 0.0509 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0009 0.0005
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0005 0.0005
Mycobacterium tuberculosis Probable aminotransferase 0.0159 0.0581 0.7609
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0009 0.0005
Toxoplasma gondii pyruvate kinase PyKII 0.0104 0.0355 0.4633
Giardia lamblia Histone acetyltransferase GCN5 0.0084 0.0273 0.3549
Mycobacterium ulcerans acetylornithine aminotransferase 0.0023 0.002 0.0145
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0009 0.0005
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0009 0.0005
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0303 0.1174 0.1174
Schistosoma mansoni nuclear hormone receptor 0.002 0.0009 0.0005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0112 0.0107
Mycobacterium ulcerans L-lysine aminotransferase 0.0023 0.002 0.0145
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0009 0.0005
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0312 0.1212 0.1208
Echinococcus multilocularis ornithine aminotransferase 0.0023 0.002 0.0015
Loa Loa (eye worm) glutaminase 2 0.0275 0.1058 0.1054
Mycobacterium tuberculosis Conserved hypothetical protein 0.016 0.0584 0.7652
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0009 0.0005
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0102 0.0102
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0009 0.0005
Entamoeba histolytica hypothetical protein 0.0024 0.0027 0.0448
Loa Loa (eye worm) fli-1 protein 0.0225 0.0852 0.0848
Schistosoma mansoni thyroid hormone receptor 0.002 0.0009 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0027 0.0215
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0009 0.0005
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0203 0.0762 1
Echinococcus granulosus pyruvate kinase 0.0104 0.0355 0.0351
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0143 0.0517 0.0517
Mycobacterium leprae Probable pyruvate kinase PykA 0.0203 0.0762 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 38.9 uM Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE ChEMBL. 19618939
IC50 (binding) = 75.2 uM Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupole mass spectrometry ChEMBL. 19618939

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

1 literature reference was collected for this gene.

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