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

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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