Detailed information for compound 1290116

Basic information

Technical information
  • TDR Targets ID: 1290116
  • Name: N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-yl ethyl]-N-(4-methylphenyl)-2H-pyrazole-3-carbo xamide
  • MW: 408.517 | Formula: C22H24N4O2S
  • H donors: 2 H acceptors: 3 LogP: 3.96 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)N(C(=O)c1cc[nH]n1)C(c1cccs1)C(=O)NC1CCCC1
  • InChi: 1S/C22H24N4O2S/c1-15-8-10-17(11-9-15)26(22(28)18-12-13-23-25-18)20(19-7-4-14-29-19)21(27)24-16-5-2-3-6-16/h4,7-14,16,20H,2-3,5-6H2,1H3,(H,23,25)(H,24,27)
  • InChiKey: KCJPVRQGAWDAIM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(cyclopentylamino)-2-oxo-1-(2-thienyl)ethyl]-N-(4-methylphenyl)-2H-pyrazole-3-carboxamide
  • N-[2-(cyclopentylamino)-2-keto-1-(2-thienyl)ethyl]-N-(4-methylphenyl)-2H-pyrazole-3-carboxamide
  • N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-yl-ethyl]-N-(4-methylphenyl)-2H-pyrazole-3-carboxamide
  • MLS000709733
  • SMR000286600
  • BAS 06264702

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tar DNA-binding protein 0.0993 0.3466 0.8757
Brugia malayi RasGEF domain containing protein 0.0013 0.0007 0.0007
Loa Loa (eye worm) nuclear factor I 0.0107 0.0341 0.034
Schistosoma mansoni hypothetical protein 0.0524 0.1812 0.4571
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0222 0.0549
Brugia malayi hypothetical protein 0.0018 0.0025 0.0025
Echinococcus multilocularis rap guanine nucleotide exchange factor 1 0.0013 0.0007 0.002
Brugia malayi N-terminal motif family protein 0.0013 0.0007 0.0007
Schistosoma mansoni smad1 5 8 and 0.0194 0.0646 0.1623
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0212 0.2098
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0071 0.0212 0.2098
Schistosoma mansoni Smad4 0.0194 0.0646 0.1623
Plasmodium falciparum ataxin-2 like protein, putative 0.0345 0.1182 0.3486
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0018 0.0025 0.0072
Schistosoma mansoni Smad4 0.0087 0.0268 0.0666
Echinococcus granulosus mothers against decapentaplegic 5 0.0194 0.0646 0.1864
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0901 0.314 1
Brugia malayi N-terminal motif family protein 0.0013 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0345 0.1182 0.1181
Plasmodium falciparum replication factor C subunit 1, putative 0.0071 0.0212 0.0263
Mycobacterium ulcerans glutaminase 0.029 0.0985 0.2638
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0524 0.1812 0.1812
Echinococcus multilocularis regulator of G protein signaling 7 0.0018 0.0025 0.0072
Echinococcus multilocularis smad 0.0194 0.0646 0.1864
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0212 0.1747
Echinococcus granulosus segment polarity protein dishevelled 0.0018 0.0025 0.0072
Echinococcus granulosus dnaJ subfamily B 0.0494 0.1705 0.492
Loa Loa (eye worm) hypothetical protein 0.0318 0.1083 0.1083
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0212 0.2098
Onchocerca volvulus 0.0318 0.1083 0.8734
Echinococcus multilocularis replication factor c subunit 1 0.0071 0.0212 0.0612
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0901 0.314 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0901 0.314 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.031 0.1057 0.3073
Echinococcus granulosus nibrin 0.0071 0.0212 0.0612
Echinococcus granulosus tar DNA binding protein 0.0993 0.3466 1
Brugia malayi hypothetical protein 0.0071 0.0212 0.0212
Brugia malayi hypothetical protein 0.0345 0.1182 0.1182
Brugia malayi Smad1 0.0194 0.0646 0.0646
Brugia malayi Probable ClpP-like protease 0.0901 0.314 0.314
Brugia malayi CXXC zinc finger family protein 0.0035 0.0085 0.0085
Echinococcus granulosus TGF beta signal transducer SmadC 0.0194 0.0646 0.1864
Brugia malayi latrophilin 2 splice variant baaae 0.1132 0.3957 0.3957
Schistosoma mansoni dishevelled 0.0018 0.0025 0.0051
Brugia malayi TAR-binding protein 0.0993 0.3466 0.3466
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0901 0.314 1
Brugia malayi DIX domain containing protein 0.0018 0.0025 0.0025
Brugia malayi DKFZp564C0469 protein 0.0071 0.0212 0.0212
Loa Loa (eye worm) glutaminase 0.029 0.0985 0.0984
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0524 0.1812 0.5226
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0071 0.0212 0.2098
Schistosoma mansoni ras GTP exchange factor 0.0013 0.0007 0.0006
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0298 0.0741
Echinococcus granulosus peptidase Clp S14 family 0.059 0.2046 0.5901
Echinococcus multilocularis cpg binding protein 0.0037 0.0092 0.0264
Loa Loa (eye worm) MH1 domain-containing protein 0.0194 0.0646 0.0646
Entamoeba histolytica hypothetical protein 0.0074 0.0224 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0524 0.1812 0.5226
Loa Loa (eye worm) RasGEF domain-containing protein 0.0013 0.0007 0.0007
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0013 0.0007 0.0006
Echinococcus granulosus ras GTP exchange factor 0.0013 0.0007 0.002
Loa Loa (eye worm) hypothetical protein 0.0071 0.0212 0.0212
Schistosoma mansoni hypothetical protein 0.1132 0.3957 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0085 0.0085
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.0224 0.0645
Echinococcus granulosus rap guanine nucleotide exchange factor 6 0.0013 0.0007 0.002
Echinococcus multilocularis ras GTP exchange factor 0.0013 0.0007 0.002
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0071 0.0212 0.9463
Echinococcus granulosus regulator of G protein signaling 7 0.0018 0.0025 0.0072
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0901 0.314 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0362 0.1239 1
Echinococcus multilocularis mothers against decapentaplegic 2 0.0087 0.0268 0.0773
Toxoplasma gondii hypothetical protein 0.031 0.1057 0.3313
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0212 0.1747
Brugia malayi RNA recognition motif domain containing protein 0.0993 0.3466 0.3466
Brugia malayi Latrophilin receptor protein 2 0.0524 0.1812 0.1812
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0298 0.0741
Onchocerca volvulus 0.0018 0.0025 0.0146
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.0298 0.0858
Loa Loa (eye worm) DIX domain-containing protein 0.0018 0.0025 0.0025
Schistosoma mansoni z-protein (S1r protein) 0.0018 0.0025 0.0051
Echinococcus multilocularis Protein son of sevenless 0.0013 0.0007 0.002
Echinococcus granulosus Protein son of sevenless 0.0013 0.0007 0.002
Schistosoma mansoni peptidase Clp (S14 family) 0.0901 0.314 0.7933
Schistosoma mansoni smad1 5 8 and 0.0194 0.0646 0.1623
Leishmania major hypothetical protein, conserved 0.0345 0.1182 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0345 0.1182 1
Schistosoma mansoni hypothetical protein 0.0524 0.1812 0.4571
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.031 0.1057 0.2886
Echinococcus multilocularis son of sevenless 1 0.0013 0.0007 0.002
Brugia malayi glutaminase DH11.1 0.029 0.0985 0.0985
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.031 0.1057 0.3073
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0993 0.3466 0.3466
Echinococcus granulosus replication factor c subunit 1 0.0071 0.0212 0.0612
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0087 0.0268 0.2117
Loa Loa (eye worm) isocitrate dehydrogenase 0.0048 0.0133 0.0133
Loa Loa (eye worm) MH2 domain-containing protein 0.0194 0.0646 0.0646
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0901 0.314 1
Onchocerca volvulus 0.0071 0.0212 0.1664
Schistosoma mansoni dep domain containing protein 0.0018 0.0025 0.0051
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0212 0.2098
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0013 0.0007 0.0006
Brugia malayi N-terminal motif family protein 0.0362 0.1239 0.1239
Toxoplasma gondii isocitrate dehydrogenase 0.0048 0.0133 0.0346
Schistosoma mansoni glutaminase 0.029 0.0985 0.2479
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.0224 0.0645
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0048 0.0133 0.0383
Echinococcus multilocularis Smad4 0.0194 0.0646 0.1864
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0071 0.0212 0.06
Loa Loa (eye worm) hypothetical protein 0.0524 0.1812 0.1811
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0071 0.0212 0.2098
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0901 0.314 1
Brugia malayi topoisomerase 0.0071 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.0018 0.0025 0.0025
Schistosoma mansoni hypothetical protein 0.0494 0.1705 0.4302
Echinococcus multilocularis segment polarity protein dishevelled 0.0018 0.0025 0.0072
Schistosoma mansoni regulator of G protein signaling 0.0018 0.0025 0.0051
Brugia malayi hypothetical protein 0.0074 0.0224 0.0224
Schistosoma mansoni smad 0.0087 0.0268 0.0666
Toxoplasma gondii isocitrate dehydrogenase 0.0048 0.0133 0.0346
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0048 0.0133 0.0383
Schistosoma mansoni tar DNA-binding protein 0.0993 0.3466 0.8757
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.059 0.2046 0.6261
Loa Loa (eye worm) hypothetical protein 0.0071 0.0212 0.0212
Brugia malayi hypothetical protein 0.0223 0.075 0.075
Echinococcus granulosus Pleckstrin G protein interacting region 0.0018 0.0025 0.0072
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0048 0.0133 0.0324
Loa Loa (eye worm) hypothetical protein 0.0087 0.0268 0.0268
Brugia malayi regulator of G-protein signaling egl-10 0.0018 0.0025 0.0025
Schistosoma mansoni hypothetical protein 0.0524 0.1812 0.4571
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.0298 0.0858
Loa Loa (eye worm) hypothetical protein 0.0018 0.0025 0.0025
Echinococcus multilocularis rap guanine nucleotide exchange factor 6 0.0013 0.0007 0.002
Loa Loa (eye worm) hypothetical protein 0.1656 0.5806 0.5806
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0013 0.0007 0.0006
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.0007
Entamoeba histolytica hypothetical protein 0.0074 0.0224 1
Brugia malayi Isocitrate dehydrogenase 0.0048 0.0133 0.0133
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0901 0.314 0.9061
Echinococcus multilocularis GPCR, family 2 0.0524 0.1812 0.5226
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.059 0.2046 1
Trichomonas vaginalis glutaminase, putative 0.029 0.0985 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.0298 0.0298
Loa Loa (eye worm) latrophilin receptor protein 2 0.0524 0.1812 0.1811
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.0298 0.0297
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0194 0.0646 0.1864
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0524 0.1812 0.5226
Brugia malayi isocitrate dehydrogenase 0.0048 0.0133 0.0133
Toxoplasma gondii LsmAD domain-containing protein 0.0345 0.1182 0.3711
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0071 0.0212 0.0756
Schistosoma mansoni Smad4 0.0087 0.0268 0.0666
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0901 0.314 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0048 0.0133 0.0383
Toxoplasma gondii ATPase, AAA family protein 0.0071 0.0212 0.06
Brugia malayi RNA binding protein 0.0993 0.3466 0.3466
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.0224 0.0554
Trypanosoma cruzi PAB1-binding protein , putative 0.0345 0.1182 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.059 0.2046 0.5901
Echinococcus granulosus mothers against decapentaplegic 6 0.0087 0.0268 0.0773
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1656 0.5806 0.5806
Brugia malayi hypothetical protein 0.0318 0.1083 0.1083
Schistosoma mansoni topbp1 0.0071 0.0212 0.0524
Entamoeba histolytica hypothetical protein 0.0071 0.0212 0.9463
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0071 0.0212 0.2098
Schistosoma mansoni topbp1 0.0071 0.0212 0.0524
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0018 0.0025 0.0025
Brugia malayi RasGEF domain containing protein 0.0013 0.0007 0.0007
Loa Loa (eye worm) RasGEF domain-containing protein 0.0013 0.0007 0.0007
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0901 0.314 1
Brugia malayi hypothetical protein 0.0071 0.0212 0.0212
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.0298 0.0858
Plasmodium falciparum ataxin-2 like protein, putative 0.0345 0.1182 0.3486
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0901 0.314 1
Echinococcus granulosus GPCR family 2 0.0524 0.1812 0.5226
Brugia malayi MH2 domain containing protein 0.0087 0.0268 0.0268
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.059 0.2046 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0194 0.0543
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.0298 0.0858
Trypanosoma cruzi FHA domain containing protein, putative 0.0071 0.0212 0.1747
Schistosoma mansoni hypothetical protein 0.0074 0.0224 0.0554
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0013 0.0007 0.0006
Brugia malayi MH1 domain containing protein 0.0194 0.0646 0.0646
Schistosoma mansoni tar DNA-binding protein 0.0993 0.3466 0.8757
Entamoeba histolytica hypothetical protein 0.0074 0.0224 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.031 0.1057 0.2886
Giardia lamblia Replication factor C, subunit 1 0.0071 0.0212 0.5
Loa Loa (eye worm) RasGEF domain-containing protein 0.0013 0.0007 0.0007
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0071 0.0212 0.1747
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0524 0.1812 0.5226
Schistosoma mansoni smad1 5 8 and 0.0194 0.0646 0.1623
Loa Loa (eye worm) hypothetical protein 0.0018 0.0025 0.0025
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0018 0.0025 0.0025
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0155 0.0509 0.1468
Loa Loa (eye worm) MH1 domain-containing protein 0.0087 0.0268 0.0268
Schistosoma mansoni hypothetical protein 0.0155 0.0509 0.1276
Echinococcus granulosus smad 0.0194 0.0646 0.1864
Echinococcus multilocularis segment polarity protein dishevelled 0.0018 0.0025 0.0072
Echinococcus multilocularis regulator of G protein signaling 7 0.0018 0.0025 0.0072
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0901 0.314 0.9061
Brugia malayi MH2 domain containing protein 0.0194 0.0646 0.0646
Loa Loa (eye worm) hypothetical protein 0.0071 0.0212 0.0212
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0048 0.0133 0.0383
Echinococcus granulosus son of sevenless 1 0.0013 0.0007 0.002
Plasmodium vivax replication factor C subunit 1, putative 0.0071 0.0212 0.0263
Schistosoma mansoni chromosome transmission fidelity factor 0.0071 0.0212 0.0524
Brugia malayi RasGEF domain containing protein 0.0013 0.0007 0.0007
Echinococcus granulosus segment polarity protein dishevelled 0.0018 0.0025 0.0072
Schistosoma mansoni dishevelled 0.0018 0.0025 0.0051
Loa Loa (eye worm) glutaminase 2 0.029 0.0985 0.0984
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0018 0.0025 0.0025
Schistosoma mansoni hypothetical protein 0.0524 0.1812 0.4571
Loa Loa (eye worm) hypothetical protein 0.1132 0.3957 0.3957
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0212 0.2098
Brugia malayi MH1 domain containing protein 0.0107 0.0341 0.0341
Brugia malayi Pax transcription activation domain interacting protein 0.0071 0.0212 0.0212
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0048 0.0133 0.0383
Echinococcus multilocularis tar DNA binding protein 0.0993 0.3466 1
Brugia malayi hypothetical protein 0.0018 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.0007
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0018 0.0025 0.0146
Trypanosoma brucei PAB1-binding protein , putative 0.0345 0.1182 1
Schistosoma mansoni cpg binding protein 0.0037 0.0092 0.0219
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0212 0.2098
Loa Loa (eye worm) TAR-binding protein 0.0993 0.3466 0.3466
Loa Loa (eye worm) hypothetical protein 0.0107 0.0341 0.034
Trichomonas vaginalis replication factor C large subunit, putative 0.0071 0.0212 0.2098
Echinococcus granulosus mothers against decapentaplegic 2 0.0087 0.0268 0.0773
Loa Loa (eye worm) hypothetical protein 0.0071 0.0212 0.0212
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0155 0.0509 0.1468
Brugia malayi MH1 domain containing protein 0.0107 0.0341 0.0341
Loa Loa (eye worm) hypothetical protein 0.0362 0.1239 0.1239
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0071 0.0212 0.0212
Loa Loa (eye worm) hypothetical protein 0.0071 0.0212 0.0212
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0018 0.0025 0.0051
Onchocerca volvulus 0.0035 0.0085 0.063
Echinococcus granulosus regulator of G protein signaling 7 0.0018 0.0025 0.0072
Entamoeba histolytica hypothetical protein 0.0074 0.0224 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0087 0.0268 0.0268
Schistosoma mansoni cpg binding protein 0.0037 0.0092 0.0219
Brugia malayi MH1 domain containing protein 0.0194 0.0646 0.0646
Brugia malayi Calcitonin receptor-like protein seb-1 0.1656 0.5806 0.5806
Loa Loa (eye worm) Smad1 0.0194 0.0646 0.0646
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0194 0.0646 0.1623
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0901 0.314 1
Schistosoma mansoni DNA ligase IV 0.0071 0.0212 0.0524
Loa Loa (eye worm) RNA binding protein 0.0993 0.3466 0.3466
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0048 0.0133 0.1072
Loa Loa (eye worm) hypothetical protein 0.0901 0.314 0.314
Loa Loa (eye worm) hypothetical protein 0.0071 0.0212 0.0212
Echinococcus granulosus cpg binding protein 0.0037 0.0092 0.0264
Schistosoma mansoni cpg binding protein 0.0035 0.0085 0.0202
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0048 0.0133 0.1072
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.1705 0.492
Echinococcus multilocularis mothers against decapentaplegic 5 0.0194 0.0646 0.1864
Schistosoma mansoni tar DNA-binding protein 0.0993 0.3466 0.8757
Schistosoma mansoni tar DNA-binding protein 0.0993 0.3466 0.8757
Echinococcus granulosus rap guanine nucleotide exchange factor 1 0.0013 0.0007 0.002
Echinococcus granulosus Smad4 0.0194 0.0646 0.1864
Plasmodium vivax ataxin-2 like protein, putative 0.0345 0.1182 0.3486
Brugia malayi mothers against decapentaplegic homolog 3 0.0087 0.0268 0.0268
Echinococcus multilocularis mothers against decapentaplegic 6 0.0087 0.0268 0.0773
Schistosoma mansoni smad 0.0194 0.0646 0.1623
Echinococcus multilocularis isocitrate dehydrogenase 0.0048 0.0133 0.0383
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1656 0.5806 0.5806
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0298 0.0741
Brugia malayi MH2 domain containing protein 0.0194 0.0646 0.0646
Echinococcus multilocularis nibrin 0.0071 0.0212 0.0612

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) > 100 um PUBCHEM_BIOASSAY: uHTS identification of compounds activating TNAP in the absence of phosphate acceptor performed in luminescent assay. (Class of assay: confirmatory) [Related pubchem assays: 813, 518, 1548, 1450 ] ChEMBL. No reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) 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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