Detailed information for compound 716028

Basic information

Technical information
  • TDR Targets ID: 716028
  • Name: 3-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triaz ol-3-yl)sulfanyl]propanoic acid
  • MW: 295.381 | Formula: C12H13N3O2S2
  • H donors: 1 H acceptors: 4 LogP: 1.89 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCn1c(SCCC(=O)O)nnc1c1cccs1
  • InChi: 1S/C12H13N3O2S2/c1-2-6-15-11(9-4-3-7-18-9)13-14-12(15)19-8-5-10(16)17/h2-4,7H,1,5-6,8H2,(H,16,17)
  • InChiKey: HAMSTRAHMJNVOQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
  • 3-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propanoic acid
  • 3-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionic acid
  • 3-{[4-allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}propanoic acid
  • MLS000100224
  • SMR000082199

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.048 0.3196
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.048 0.2998
Brugia malayi PHD-finger family protein 0.0025 0.0113 0.007
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0861 1
Plasmodium vivax SET domain protein, putative 0.0089 0.1046 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0079 0.0083
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.048 0.0506
Onchocerca volvulus Protein ultraspiracle homolog 0.0031 0.0206 0.0154
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0089 0.1046 0.1103
Brugia malayi steroid hormone receptor 0.0031 0.0206 0.0176
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0026 0.0136 0.0584
Loa Loa (eye worm) hypothetical protein 0.0042 0.0369 0.0411
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0476 0.524
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0031 0.0206 0.0225
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0022 0.0078 0.0082
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.007 0.0769 0.5169
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0031 0.0206 0.0217
Loa Loa (eye worm) AMP-binding enzyme family protein 0.002 0.0052 0.005
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0434 0.0458
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0434 0.9009
Schistosoma mansoni hypothetical protein 0.0022 0.0078 0.0082
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0052 0.0512 0.342
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0559 0.0589
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.007 0.0769 0.5169
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0206 0.0176
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.1548 0.176
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0085 0.0998 0.1052
Loa Loa (eye worm) hypothetical protein 0.007 0.0769 0.0869
Loa Loa (eye worm) hypothetical protein 0.002 0.0052 0.005
Brugia malayi hypothetical protein 0.0032 0.022 0.0193
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.0861 0.5
Plasmodium vivax acyl-CoA synthetase, putative 0.0052 0.0512 0.4633
Schistosoma mansoni nuclear hormone receptor 0.0031 0.0206 0.0217
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0031 0.0206 0.0217
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0206 0.0176
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0386 0.5375 0.5669
Loa Loa (eye worm) hypothetical protein 0.0031 0.0206 0.0225
Brugia malayi Probable ClpP-like protease 0.0076 0.0861 0.0929
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.1477 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0618 0.8756 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0461 0.0517
Plasmodium vivax glutathione reductase, putative 0.0047 0.0434 0.3842
Leishmania major 4-coumarate:coa ligase-like protein 0.007 0.0769 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0031 0.0206 0.0176
Schistosoma mansoni acetyl-CoA synthetase 0.002 0.0052 0.0055
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0105 0.1291 0.1362
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0206 0.0217
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0031 0.0206 0.0217
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0079 0.0083
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0052 0.0512 0.5693
Loa Loa (eye worm) steroid hormone receptor 0.0031 0.0206 0.0225
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.1304 0.8821
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0861 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0031 0.0206 0.0217
Loa Loa (eye worm) oxidoreductase 0.002 0.0052 0.005
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.0614 0.0648
Brugia malayi Bromodomain containing protein 0.0038 0.0306 0.0292
Leishmania major 4-coumarate:coa ligase-like protein 0.007 0.0769 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0049 0.0471 0.3138
Brugia malayi ecdysteroid receptor 0.0031 0.0206 0.0176
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0861 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0861 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0512 0.0576
Echinococcus granulosus FTZ F1 alpha 0.0031 0.0206 0.0217
Toxoplasma gondii thioredoxin reductase 0.0047 0.0434 0.3842
Loa Loa (eye worm) hypothetical protein 0.0052 0.0512 0.0576
Loa Loa (eye worm) hypothetical protein 0.0031 0.0206 0.0225
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.048 0.3196
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.0614 0.0648
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.002 0.0052 0.0055
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0476 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0206 0.0225
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0272 0.0287
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0237 0.0213
Echinococcus multilocularis thyroid hormone receptor alpha 0.0417 0.5827 0.6144
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0559 0.0582
Echinococcus multilocularis ecdysone induced protein 78C 0.0031 0.0206 0.0217
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0434 0.3842
Schistosoma mansoni steroid hormone receptor ad4bp 0.0031 0.0206 0.0217
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0136 0.103
Loa Loa (eye worm) hypothetical protein 0.002 0.0052 0.005
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0031 0.0206 0.0217
Entamoeba histolytica acyl-coA synthetase, putative 0.007 0.0769 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.0861 0.0908
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.007 0.0769 0.8865
Loa Loa (eye worm) hypothetical protein 0.0052 0.0512 0.0576
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0861 0.8139
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0386 0.5375 0.5669
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0434 0.0458
Loa Loa (eye worm) hypothetical protein 0.0031 0.0206 0.0225
Echinococcus multilocularis tumor protein p63 0.0349 0.4831 0.5095
Onchocerca volvulus 0.0051 0.0498 0.0448
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.0476 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0106 0.1304 0.8786
Onchocerca volvulus 0.007 0.0769 0.072
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0089 0.1046 0.1103
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.1304 0.8821
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0022 0.0078 0.0082
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0031 0.0206 0.0225
Toxoplasma gondii hypothetical protein 0.0026 0.0136 0.0838
Schistosoma mansoni hypothetical protein 0.0033 0.0237 0.025
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0052 0.0282
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0434 0.2885
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0206 0.0217
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0031 0.0206 0.0176
Entamoeba histolytica acyl-CoA synthetase, putative 0.007 0.0769 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0861 0.0974
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.007 0.0769 0.8865
Brugia malayi MH2 domain containing protein 0.0123 0.1548 0.1719
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0052 0.0282
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0031 0.0206 0.0217
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0559 0.0589
Schistosoma mansoni coup transcription factor 0.0031 0.0206 0.0217
Brugia malayi Bromodomain containing protein 0.0074 0.0835 0.0899
Echinococcus granulosus microtubule associated protein 2 0.0668 0.9483 1
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.002 0.0052 0.0055
Leishmania major trypanothione reductase 0.0047 0.0434 0.5325
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0434 0.0486
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0031 0.0206 0.0217
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0498 0.0525
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0052 0.0049
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.1477 1
Trichomonas vaginalis set domain proteins, putative 0.0703 1 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.002 0.0052 0.005
Brugia malayi hypothetical protein 0.005 0.0476 0.0487
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0031 0.0206 0.0217
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.002 0.0052 0.0282
Schistosoma mansoni RAR-like nuclear receptor 0.0031 0.0206 0.0217
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.1477 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0105 0.1291 0.1362
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0461 0.0469
Loa Loa (eye worm) hypothetical protein 0.0051 0.0498 0.0559
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.0476 0.4264
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0031 0.0206 0.0217
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0052 0.0282
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0031 0.0206 0.0176
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.002 0.0052 0.0282
Loa Loa (eye worm) hypothetical protein 0.005 0.0476 0.0534
Mycobacterium ulcerans hypothetical protein 0.007 0.0769 0.8865
Entamoeba histolytica acyl-CoA synthetase, putative 0.007 0.0769 1
Loa Loa (eye worm) glutathione reductase 0.0047 0.0434 0.0486
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.002 0.0052 0.0282
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.1304 0.8821
Brugia malayi photoreceptor-specific nuclear receptor 0.0031 0.0206 0.0176
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0031 0.0206 0.0154
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.0206 0.0217
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0031 0.0206 0.0217
Brugia malayi Pre-SET motif family protein 0.0089 0.1046 0.1141
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.0476 0.4264
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0031 0.0206 0.0225
Onchocerca volvulus 0.0031 0.0206 0.0154
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0206 0.0176
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0206 0.0176
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0031 0.0206 0.0176
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0461 0.0517
Schistosoma mansoni microtubule-associated protein tau 0.0668 0.9483 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0206 0.0225
Leishmania major 4-coumarate:coa ligase-like protein 0.007 0.0769 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0031 0.0206 0.0217
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0559 0.0589
Brugia malayi AMP-binding enzyme family protein 0.007 0.0769 0.0823
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0052 0.0282
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.0476 0.524
Loa Loa (eye worm) hypothetical protein 0.0031 0.0206 0.0225
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0049 0.0471 0.3138
Loa Loa (eye worm) hypothetical protein 0.0105 0.1291 0.1466
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0089 0.1046 0.1103
Leishmania major hypothetical protein, conserved 0.005 0.0476 0.591
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0461 0.0469
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0105 0.1291 0.1362
Mycobacterium ulcerans acyl-CoA synthetase 0.007 0.0769 0.8865
Loa Loa (eye worm) hypothetical protein 0.007 0.0769 0.0869
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.007 0.0769 0.5029
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0049 0.0471 0.3138
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0559 0.0589
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.0476 1
Plasmodium falciparum acyl-CoA synthetase 0.0052 0.0512 0.5693
Brugia malayi Steroid receptor seven-up type 2 0.0031 0.0206 0.0176
Loa Loa (eye worm) hypothetical protein 0.0038 0.0307 0.0341
Schistosoma mansoni hypothetical protein 0.0386 0.5375 0.5669
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.1304 0.8821
Brugia malayi AMP-binding enzyme family protein 0.007 0.0769 0.0823
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0031 0.0206 0.0217
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0031 0.0206 0.0176
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0206 0.0176
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.0136 0.0838
Mycobacterium tuberculosis Probable reductase 0.0106 0.1304 0.8821
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0031 0.0206 0.0225
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.0861 0.0908
Trypanosoma brucei trypanothione reductase 0.0047 0.0434 0.9009
Onchocerca volvulus Bile acid receptor homolog 0.0031 0.0206 0.0154
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0031 0.0206 0.0225
Brugia malayi Pre-SET motif family protein 0.0618 0.8756 1
Brugia malayi AMP-binding enzyme family protein 0.007 0.0769 0.0823
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0206 0.0176
Echinococcus granulosus tumor protein p63 0.0349 0.4831 0.5095
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0206 0.0217
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0089 0.1046 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0559 0.0589
Brugia malayi glutathione reductase 0.0047 0.0434 0.0438
Onchocerca volvulus 0.0089 0.1046 0.0999
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.002 0.0052 0.0282
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.002 0.0052 0.0282
Loa Loa (eye worm) hypothetical protein 0.0031 0.0206 0.0225
Schistosoma mansoni bromodomain containing protein 0.0063 0.0666 0.0702
Loa Loa (eye worm) hypothetical protein 0.0052 0.0512 0.0576
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0272 0.0287
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.007 0.0769 0.8865
Plasmodium falciparum thioredoxin reductase 0.0047 0.0434 0.472
Echinococcus multilocularis FTZ F1 alpha 0.0031 0.0206 0.0217
Brugia malayi nuclear receptor NHR-88 0.0031 0.0206 0.0176
Loa Loa (eye worm) hypothetical protein 0.007 0.0773 0.0874
Schistosoma mansoni hypothetical protein 0.002 0.0052 0.0054
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0031 0.0206 0.0176
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.0861 0.5673
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0105 0.1291 0.1362
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0049 0.0471 0.3138
Echinococcus multilocularis zinc finger protein 0.0019 0.0036 0.0038
Loa Loa (eye worm) hypothetical protein 0.007 0.0769 0.0869
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0861 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0559 0.0629
Mycobacterium ulcerans acyl-CoA synthetase 0.007 0.0769 0.8865
Echinococcus granulosus zinc finger protein 0.0019 0.0036 0.0038
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0559 0.0589
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0079 0.0083
Echinococcus multilocularis microtubule associated protein 2 0.0668 0.9483 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0031 0.0206 0.0217
Loa Loa (eye worm) hypothetical protein 0.0033 0.0237 0.0261
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.002 0.0052 0.0282
Mycobacterium ulcerans fatty-acid-CoA ligase 0.007 0.0769 0.8865
Schistosoma mansoni thyroid hormone receptor 0.0417 0.5827 0.6144
Mycobacterium ulcerans acyl-CoA synthetase 0.007 0.0769 0.8865
Brugia malayi nuclear hormone receptor 0.0031 0.0206 0.0176
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0031 0.0206 0.0225
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.007 0.0769 0.5029
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.1304 0.8821
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0031 0.0206 0.0176
Schistosoma mansoni retinoic acid receptor RXR 0.0031 0.0206 0.0217
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.0861 0.8139
Echinococcus granulosus peptidase Clp S14 family 0.005 0.048 0.0506
Schistosoma mansoni zinc finger protein 0.0019 0.0036 0.0038
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0861 0.8139
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0031 0.0206 0.0225
Brugia malayi Thioredoxin reductase 0.0047 0.0434 0.0438
Loa Loa (eye worm) hypothetical protein 0.0052 0.0512 0.0576
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0206 0.0217
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.1548 0.176
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.002 0.0052 0.0282
Plasmodium falciparum glutathione reductase 0.0047 0.0434 0.472
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0559 0.0589
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0031 0.0206 0.0217
Loa Loa (eye worm) hypothetical protein 0.0031 0.0206 0.0225
Schistosoma mansoni thyroid hormone receptor 0.0417 0.5827 0.6144
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.1477 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.0861 0.0908
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0206 0.0176
Loa Loa (eye worm) hypothetical protein 0.004 0.0341 0.038
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0861 1
Echinococcus granulosus ecdysone induced protein 78C 0.0031 0.0206 0.0217

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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