Detailed information for compound 1228138

Basic information

Technical information
  • TDR Targets ID: 1228138
  • Name: 3-phenyl-2-pyrrol-1-yl-N-(thiophen-2-ylmethyl )propanamide
  • MW: 310.413 | Formula: C18H18N2OS
  • H donors: 1 H acceptors: 1 LogP: 3.31 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(n1cccc1)Cc1ccccc1)NCc1cccs1
  • InChi: 1S/C18H18N2OS/c21-18(19-14-16-9-6-12-22-16)17(20-10-4-5-11-20)13-15-7-2-1-3-8-15/h1-12,17H,13-14H2,(H,19,21)
  • InChiKey: APFPTBXLYNLAKY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-phenyl-2-pyrrol-1-yl-N-(2-thienylmethyl)propanamide
  • 3-phenyl-2-(1-pyrrolyl)-N-(2-thienylmethyl)propanamide
  • 3-phenyl-2-pyrrol-1-yl-N-(2-thienylmethyl)propionamide
  • MLS000119031
  • SMR000095970
  • IDI1_005972
  • ChemDiv2_007257

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus geminin 0.0554 0.6041 1
Mycobacterium leprae Probable pyruvate kinase PykA 0.0181 0.1911 1
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0333 0.094
Echinococcus granulosus pyruvate kinase 0.0093 0.0935 0.1548
Schistosoma mansoni sodium-dependent amino acid transporter 0.0048 0.0434 0.0719
Loa Loa (eye worm) hypothetical protein 0.0048 0.0434 0.1049
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0043 0.0381 0.0381
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.027 0.0447
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0048 0.0434 0.1148
Schistosoma mansoni hypothetical protein 0.0024 0.017 0.0281
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0475 0.0787
Trypanosoma brucei pyruvate kinase 1, putative 0.0181 0.1911 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0048 0.0434 0.0719
Entamoeba histolytica pyruvate kinase, putative 0.0126 0.1305 1
Trichomonas vaginalis esterase, putative 0.0039 0.0333 0.1744
Loa Loa (eye worm) MH1 domain-containing protein 0.0012 0.0035 0.0085
Loa Loa (eye worm) nuclear factor I 0.0014 0.0066 0.0158
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0044 0.0072
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0333 0.0542
Brugia malayi beta-lactamase family protein 0.0039 0.0333 0.0805
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0333 0.0552
Loa Loa (eye worm) MH2 domain-containing protein 0.0383 0.4141 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0012 0.0044 0.0072
Brugia malayi MH2 domain containing protein 0.0383 0.4141 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0012 0.0044 0.0105
Loa Loa (eye worm) transcription factor SMAD2 0.0383 0.4141 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0333 0.0805
Schistosoma mansoni hypothetical protein 0.0033 0.027 0.0447
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0335 0.1753
Schistosoma mansoni loxhd1 0.0024 0.017 0.0281
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0048 0.0434 0.1049
Loa Loa (eye worm) hypothetical protein 0.0012 0.0044 0.0105
Echinococcus granulosus pyruvate kinase 0.0181 0.1911 0.3164
Brugia malayi Pyruvate kinase, M2 isozyme 0.0181 0.1911 0.4615
Schistosoma mansoni cpg binding protein 0.0029 0.0231 0.0383
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0055 0.0513 0.1238
Echinococcus multilocularis serotonin transporter 0.0281 0.3019 0.3019
Schistosoma mansoni hypothetical protein 0.0033 0.027 0.0447
Leishmania major pyruvate kinase 0.0181 0.1911 1
Trichomonas vaginalis pyruvate kinase, putative 0.0181 0.1911 1
Plasmodium falciparum amino acid transporter, putative 0.0048 0.0434 0.1521
Loa Loa (eye worm) norepinephrine transporter 0.0281 0.3019 0.7289
Echinococcus granulosus sodium and chloride dependent glycine 0.0048 0.0434 0.0719
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0475 0.0475
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0057 0.0057
Giardia lamblia Pyruvate kinase 0.0181 0.1911 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0039 0.0335 0.0008
Toxoplasma gondii exonuclease III APE 0.0039 0.0335 0.0552
Echinococcus multilocularis GPCR, family 2 0.0033 0.027 0.027
Brugia malayi hypothetical protein 0.0024 0.017 0.0409
Onchocerca volvulus 0.0048 0.0434 0.1339
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0247 0.2636 1
Echinococcus multilocularis mothers against decapentaplegic 6 0.0012 0.0035 0.0035
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0026 0.0195 0.0195
Plasmodium falciparum pyruvate kinase 0.0181 0.1911 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0333 0.0805
Schistosoma mansoni sodium/chloride dependent transporter 0.0281 0.3019 0.4997
Schistosoma mansoni hypothetical protein 0.0014 0.0057 0.0095
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.027 0.0652
Loa Loa (eye worm) hypothetical protein 0.0048 0.0434 0.1049
Schistosoma mansoni Smad4 0.0026 0.0195 0.0322
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0039 0.0335 0.0809
Treponema pallidum sodium- and chloride- dependent transporter 0.0281 0.3019 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0026 0.0195 0.0322
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0048 0.0434 0.1148
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0292 0.0483
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0039 0.0335 0.0555
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0292 0.0292
Loa Loa (eye worm) beta-lactamase 0.0039 0.0333 0.0805
Schistosoma mansoni rab6-interacting 0.0024 0.017 0.0281
Echinococcus multilocularis mothers against decapentaplegic 2 0.0012 0.0035 0.0035
Brugia malayi MH1 domain containing protein 0.0014 0.0066 0.0158
Loa Loa (eye worm) hypothetical protein 0.0039 0.0333 0.0805
Brugia malayi beta-lactamase 0.0039 0.0333 0.0805
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0048 0.0434 0.0719
Loa Loa (eye worm) MH1 domain-containing protein 0.0026 0.0195 0.047
Toxoplasma gondii ABC1 family protein 0.0039 0.0333 0.0542
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0333 0.0542
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0048 0.0434 0.1148
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0048 0.0434 0.0719
Schistosoma mansoni pyruvate kinase 0.0181 0.1911 0.3164
Giardia lamblia Pyruvate kinase 0.0093 0.0935 0.3808
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0333 0.0552
Schistosoma mansoni smad1 5 8 and 0.0026 0.0195 0.0322
Echinococcus granulosus RUN 0.0024 0.017 0.0281
Schistosoma mansoni Smad4 0.0012 0.0035 0.0058
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0039 0.0335 0.5
Loa Loa (eye worm) hypothetical protein 0.0104 0.1056 0.2551
Loa Loa (eye worm) MH2 domain-containing protein 0.0026 0.0195 0.047
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0214 0.0516
Plasmodium falciparum pyruvate kinase 2 0.0093 0.0935 0.4396
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.0644 0.0644
Onchocerca volvulus 0.0039 0.0333 0.1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0281 0.3019 0.4997
Loa Loa (eye worm) hypothetical protein 0.0039 0.0333 0.0805
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0048 0.0434 0.0719
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0048 0.0434 0.0719
Toxoplasma gondii hypothetical protein 0.0048 0.0434 0.1148
Loa Loa (eye worm) doublecortin family protein 0.0024 0.017 0.0409
Brugia malayi MH1 domain containing protein 0.0026 0.0195 0.047
Echinococcus granulosus mothers against decapentaplegic 6 0.0012 0.0035 0.0058
Echinococcus granulosus Smad4 0.0026 0.0195 0.0322
Brugia malayi pyruvate kinase, muscle isozyme 0.0038 0.0329 0.0793
Echinococcus multilocularis sodium and chloride dependent glycine 0.0048 0.0434 0.0434
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0243 0.0421
Echinococcus multilocularis cpg binding protein 0.0029 0.0231 0.0231
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0039 0.0335 0.0335
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0001 0.0003
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0048 0.0434 0.0719
Echinococcus multilocularis voltage gated potassium channel 0.0012 0.0044 0.0044
Echinococcus granulosus pyruvate kinase 0.0093 0.0935 0.1548
Brugia malayi hypothetical protein 0.0035 0.0292 0.0704
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0039 0.0335 0.0552
Loa Loa (eye worm) hypothetical protein 0.0012 0.0035 0.0085
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0475 0.0787
Schistosoma mansoni hypothetical protein 0.0071 0.0692 0.1146
Echinococcus multilocularis pyruvate kinase 0.0093 0.0935 0.0935
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.017 0.017
Trypanosoma cruzi pyruvate kinase 2, putative 0.0181 0.1911 1
Schistosoma mansoni Smad4 0.0012 0.0035 0.0058
Brugia malayi Latrophilin receptor protein 2 0.0033 0.027 0.0652
Loa Loa (eye worm) pyruvate kinase 0.0181 0.1911 0.4615
Loa Loa (eye worm) hypothetical protein 0.0281 0.3019 0.7289
Onchocerca volvulus Pyruvate kinase homolog 0.0181 0.1911 0.6289
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0039 0.0335 0.0011
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.027 0.027
Onchocerca volvulus 0.0039 0.0333 0.1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.1056 0.2551
Onchocerca volvulus 0.0039 0.0333 0.1
Schistosoma mansoni pyruvate kinase 0.0093 0.0935 0.1548
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.027 0.027
Echinococcus multilocularis mothers against decapentaplegic 5 0.0026 0.0195 0.0195
Brugia malayi hypothetical protein 0.002 0.0124 0.0298
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0333 0.1744
Schistosoma mansoni hypothetical protein 0.0554 0.6041 1
Schistosoma mansoni ap endonuclease 0.0039 0.0335 0.0555
Leishmania major hypothetical protein, conserved 0.0039 0.0333 0.0542
Schistosoma mansoni smad1 5 8 and 0.0026 0.0195 0.0322
Brugia malayi hypothetical protein 0.0024 0.017 0.0409
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0043 0.0381 0.092
Schistosoma mansoni rab6-interacting 0.0024 0.017 0.0281
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0057 0.0095
Loa Loa (eye worm) hypothetical protein 0.0024 0.017 0.0409
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0489 0.1476
Loa Loa (eye worm) pyruvate kinase 0.0181 0.1911 0.4615
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0001 0.0002
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0475 0.1148
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.0644 0.1066
Mycobacterium ulcerans pyruvate kinase 0.0181 0.1911 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0048 0.0434 0.0719
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0475 0.1148
Schistosoma mansoni ap endonuclease 0.0039 0.0335 0.0555
Brugia malayi exodeoxyribonuclease III family protein 0.0039 0.0335 0.0809
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0181 0.1911 0.6854
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0425 0.0703
Onchocerca volvulus 0.0024 0.017 0.0451
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.0692 0.1672
Schistosoma mansoni smad 0.0012 0.0035 0.0058
Echinococcus multilocularis pyruvate kinase 0.0093 0.0935 0.0935
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0012 0.0044 0.0044
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.0335 0.1753
Echinococcus multilocularis pyruvate kinase 0.0143 0.1489 0.1489
Brugia malayi MH2 domain containing protein 0.0026 0.0195 0.047
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0048 0.0434 0.1049
Echinococcus granulosus mothers against decapentaplegic 5 0.0026 0.0195 0.0322
Loa Loa (eye worm) hypothetical protein 0.0048 0.0434 0.1049
Echinococcus multilocularis smad 0.0026 0.0195 0.0195
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0048 0.0434 0.0719
Plasmodium falciparum transporter, putative 0.0048 0.0434 0.1521
Loa Loa (eye worm) pyruvate kinase 0.0181 0.1911 0.4615
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.017 0.017
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0044 0.0072
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0333 0.0333
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0475 0.0787
Brugia malayi MH1 domain containing protein 0.0014 0.0066 0.0158
Echinococcus granulosus voltage gated potassium channel 0.0012 0.0044 0.0072
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0243 0.0421
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0048 0.0434 0.0719
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0039 0.0335 0.0552
Toxoplasma gondii pyruvate kinase PyKII 0.0093 0.0935 0.415
Loa Loa (eye worm) Smad1 0.0026 0.0195 0.047
Trichomonas vaginalis pyruvate kinase, putative 0.0181 0.1911 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0039 0.0335 0.0552
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.035 0.1829
Loa Loa (eye worm) hypothetical protein 0.0281 0.3019 0.7289
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0048 0.0434 0.0434
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0425 0.0703
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0333 0.1744
Brugia malayi MH2 domain containing protein 0.0026 0.0195 0.047
Echinococcus multilocularis pyruvate kinase 0.0181 0.1911 0.1911
Onchocerca volvulus 0.0048 0.0434 0.1339
Brugia malayi Smad1 0.0026 0.0195 0.047
Loa Loa (eye worm) hypothetical protein 0.0039 0.0333 0.0805
Echinococcus granulosus GPCR family 2 0.0033 0.027 0.0447
Loa Loa (eye worm) hypothetical protein 0.0039 0.0333 0.0805
Toxoplasma gondii pyruvate kinase PyK1 0.0181 0.1911 1
Schistosoma mansoni smad1 5 8 and 0.0026 0.0195 0.0322
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0039 0.0335 0.0552
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0335 0.095
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0048 0.0434 0.1049
Loa Loa (eye worm) hypothetical protein 0.0181 0.1911 0.4615
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0043 0.0381 0.063
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0333 0.1744
Echinococcus granulosus pyruvate kinase 0.0093 0.0935 0.1548
Loa Loa (eye worm) hypothetical protein 0.0014 0.0066 0.0158
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0048 0.0434 0.1049
Loa Loa (eye worm) hypothetical protein 0.0071 0.0692 0.1672
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0281 0.3019 0.7289
Plasmodium vivax pyruvate kinase 2, putative 0.0093 0.0935 0.4396
Echinococcus granulosus mothers against decapentaplegic 2 0.0012 0.0035 0.0058
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0333 0.0552
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0048 0.0434 0.1049
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0475 0.0787
Echinococcus granulosus serotonin transporter 0.0281 0.3019 0.4997
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0048 0.0434 0.0719
Echinococcus multilocularis pyruvate kinase 0.0181 0.1911 0.1911
Brugia malayi Doublecortin family protein 0.0024 0.017 0.0409
Schistosoma mansoni hypothetical protein 0.0033 0.027 0.0447
Loa Loa (eye worm) hypothetical protein 0.0048 0.0434 0.1049
Schistosoma mansoni lipoxygenase 0.0024 0.017 0.0281
Loa Loa (eye worm) hypothetical protein 0.0039 0.0333 0.0805
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0039 0.0335 0.0428
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0048 0.0434 0.0719
Loa Loa (eye worm) pyruvate kinase-PB 0.0126 0.1305 0.315
Loa Loa (eye worm) hypothetical protein 0.0024 0.017 0.0409
Plasmodium vivax hypothetical protein, conserved 0.0048 0.0434 0.1521
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.017 0.017
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.027 0.0447
Schistosoma mansoni hypothetical protein 0.0035 0.0292 0.0483
Schistosoma mansoni polycystin 1-related 0.0024 0.017 0.0281
Echinococcus multilocularis geminin 0.0554 0.6041 0.6041
Loa Loa (eye worm) serotonin transporter b 0.0281 0.3019 0.7289
Loa Loa (eye worm) hypothetical protein 0.0048 0.0434 0.1049
Brugia malayi CXXC zinc finger family protein 0.0028 0.0214 0.0516
Echinococcus granulosus cpg binding protein 0.0029 0.0231 0.0383
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0048 0.0434 0.0719
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.017 0.0281
Echinococcus multilocularis pyruvate kinase 0.0093 0.0935 0.0935
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.0335 0.095
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.017 0.0281
Loa Loa (eye worm) hypothetical protein 0.0033 0.027 0.0652
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0026 0.0195 0.0322
Loa Loa (eye worm) hypothetical protein 0.0281 0.3019 0.7289
Loa Loa (eye worm) hypothetical protein 0.0048 0.0434 0.1049
Onchocerca volvulus 0.0048 0.0434 0.1339
Schistosoma mansoni hypothetical protein 0.0033 0.027 0.0447
Loa Loa (eye worm) solute carrier family 6 member 4 0.0281 0.3019 0.7289
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.027 0.0652
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0243 0.0421
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0475 0.0787
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0048 0.0434 0.1049
Onchocerca volvulus 0.0028 0.0214 0.0599
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.1056 0.2551
Schistosoma mansoni cpg binding protein 0.0028 0.0214 0.0354
Trypanosoma cruzi pyruvate kinase 2, putative 0.0181 0.1911 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0292 0.0483
Brugia malayi hypothetical protein 0.003 0.0243 0.0587
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0333 0.0805
Brugia malayi mothers against decapentaplegic homolog 3 0.0012 0.0035 0.0085
Echinococcus multilocularis Smad4 0.0026 0.0195 0.0195
Schistosoma mansoni lipoxygenase 0.0067 0.0644 0.1066
Plasmodium vivax amine transporter, putative 0.0048 0.0434 0.1521
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0559 0.0925
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.035 0.1829
Trypanosoma brucei pyruvate kinase 1 0.0181 0.1911 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.017 0.0281
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0037 0.0318 0.0768
Plasmodium vivax pyruvate kinase, putative 0.0181 0.1911 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0012 0.0035 0.0085
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0333 0.0542
Schistosoma mansoni hypothetical protein 0.0554 0.6041 1
Echinococcus multilocularis RUN 0.0024 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.003 0.0243 0.0587
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0048 0.0434 0.0434
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0333 0.1744
Schistosoma mansoni pyruvate kinase 0.0181 0.1911 0.3164
Loa Loa (eye worm) hypothetical protein 0.0048 0.0434 0.1049
Schistosoma mansoni sodium/chloride dependent transporter 0.0048 0.0434 0.0719
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0475 0.0475
Brugia malayi Pyruvate kinase, muscle isozyme 0.0181 0.1911 0.4615
Onchocerca volvulus 0.0024 0.017 0.0451
Brugia malayi MH2 domain containing protein 0.0012 0.0035 0.0085
Echinococcus granulosus pyruvate kinase 0.0181 0.1911 0.3164
Loa Loa (eye worm) hypothetical protein 0.0126 0.1305 0.315
Toxoplasma gondii hypothetical protein 0.0048 0.0434 0.1148
Schistosoma mansoni smad 0.0026 0.0195 0.0322
Onchocerca volvulus 0.0281 0.3019 1
Brugia malayi pyruvate kinase 0.0038 0.0329 0.0793
Chlamydia trachomatis pyruvate kinase 0.0181 0.1911 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.1056 0.2551
Echinococcus multilocularis sodium and chloride dependent glycine 0.0048 0.0434 0.0434
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0048 0.0434 0.0719
Loa Loa (eye worm) pyruvate kinase 0.0038 0.0329 0.0793
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0043 0.0381 0.092
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0333 0.1744
Schistosoma mansoni cpg binding protein 0.0029 0.0231 0.0383
Onchocerca volvulus Pyruvate kinase homolog 0.0181 0.1911 0.6289
Echinococcus granulosus smad 0.0026 0.0195 0.0322
Leishmania major pyruvate kinase 0.0181 0.1911 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0048 0.0434 0.0719
Brugia malayi hypothetical protein 0.0048 0.0434 0.1049
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0048 0.0434 0.0434
Brugia malayi MH1 domain containing protein 0.0026 0.0195 0.047
Brugia malayi beta-lactamase family protein 0.0039 0.0333 0.0805
Onchocerca volvulus Pyruvate kinase homolog 0.0181 0.1911 0.6289

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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