Detailed information for compound 1481379

Basic information

Technical information
  • TDR Targets ID: 1481379
  • Name: N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-phenyl pyrazolo[4,5-e]pyrimidin-4-yl)sulfanylacetami de
  • MW: 431.532 | Formula: C19H21N5O3S2
  • H donors: 0 H acceptors: 6 LogP: 2.16 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C1CCS(=O)(=O)C1)C(=O)CSc1ncnc2c1cnn2c1ccccc1
  • InChi: 1S/C19H21N5O3S2/c1-2-23(15-8-9-29(26,27)12-15)17(25)11-28-19-16-10-22-24(18(16)20-13-21-19)14-6-4-3-5-7-14/h3-7,10,13,15H,2,8-9,11-12H2,1H3
  • InChiKey: HMSDKLLDNKNQDC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-phenylpyrazolo[4,5-e]pyrimidin-4-yl)sulfanyl-acetamide
  • N-(1,1-dioxo-3-thiolanyl)-N-ethyl-2-[(1-phenyl-4-pyrazolo[4,5-e]pyrimidinyl)thio]acetamide
  • N-(1,1-diketothiolan-3-yl)-N-ethyl-2-[(1-phenylpyrazolo[4,5-e]pyrimidin-4-yl)thio]acetamide
  • N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-phenylpyrazolo[4,5-e]pyrimidin-4-yl)sulfanyl-ethanamide
  • T5433743

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens fatty acid synthase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium parvum polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks5 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
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
Neospora caninum Short-chain dehydrogenase/reductase SDR, related Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks7 Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Fatty acid synthase homolog Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks2 Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) acyl carrier protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
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
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
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
Mycobacterium ulcerans polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Soraphen polyketide synthase A, related Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum KR domain domain-containing protein, putative Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks8 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks12 Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii AMP-binding enzyme domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
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
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks15 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE Get druggable targets OG5_126633 All targets in OG5_126633
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
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.4079 0.5
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0049 0.8304 0.859
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0049 0.8304 0.859
Schistosoma mansoni cercarial elastase (S01 family) 0.0049 0.8304 0.859
Entamoeba histolytica hypothetical protein 0.0043 0.6981 0.5
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.3789 0.5182
Loa Loa (eye worm) hypothetical protein 0.0049 0.8304 0.8585
Onchocerca volvulus 0.0049 0.8304 0.8155
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.3554 0.4861
Schistosoma mansoni cercarial elastase (S01 family) 0.0049 0.8304 0.859
Loa Loa (eye worm) hypothetical protein 0.0049 0.8304 0.8585
Onchocerca volvulus 0.0049 0.8304 0.8155
Brugia malayi AMP-binding enzyme family protein 0.0028 0.3554 0.226
Mycobacterium ulcerans thioesterase 0.0025 0.2877 0.1753
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.4411 0.6033
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.4411 0.4085
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.4411 0.4085
Schistosoma mansoni hypothetical protein 0.0049 0.8304 0.859
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.3995 0.3452
Echinococcus granulosus Mastin 0.0049 0.8304 0.859
Schistosoma mansoni hypothetical protein 0.0043 0.6981 0.7164
Loa Loa (eye worm) hypothetical protein 0.0049 0.8304 0.8585
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.1101 0.1505
Echinococcus granulosus transmembrane protease serine 3 0.0049 0.8304 0.859
Echinococcus multilocularis enteropeptidase 0.0049 0.8304 0.859
Echinococcus granulosus glycoprotein Antigen 5 0.0049 0.8304 0.859
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.7312 1
Mycobacterium ulcerans polyketide synthase 0.003 0.3995 0.3452
Schistosoma mansoni cercarial elastase (S01 family) 0.0049 0.8304 0.859
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.7312 1
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0049 0.8304 0.859
Brugia malayi hypothetical protein 0.0043 0.6981 0.6374
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.3789 0.5182
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.9611 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0049 0.8304 0.859
Onchocerca volvulus 0.0049 0.8304 0.8155
Onchocerca volvulus 0.0049 0.8304 0.8155
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.9611 0.9533
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.4079 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.8555 0.8856
Brugia malayi hypothetical protein 0.0049 0.8304 0.7963
Echinococcus multilocularis Mastin 0.0049 0.8304 0.859
Echinococcus multilocularis transmembrane protease serine 3 0.0049 0.8304 0.859
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.7312 0.8493
Mycobacterium ulcerans thioesterase TesA 0.0025 0.2877 0.1753
Loa Loa (eye worm) hypothetical protein 0.0017 0.1046 0.0729
Loa Loa (eye worm) trypsin family protein 0.0049 0.8304 0.8585
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.4411 1
Entamoeba histolytica hypothetical protein 0.0043 0.6981 0.5
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.3995 0.5463
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.2684 0.1461
Schistosoma mansoni cercarial elastase (S01 family) 0.0049 0.8304 0.859
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.4079 0.5
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.4411 0.481
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.3995 0.3452
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.9611 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.3995 0.4065
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0049 0.8304 0.859
Schistosoma mansoni cercarial elastase (S01 family) 0.0049 0.8304 0.859
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.2684 0.172
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0049 0.8304 0.859
Loa Loa (eye worm) hypothetical protein 0.0049 0.8304 0.8585
Mycobacterium ulcerans polyketide synthase 0.0032 0.4411 0.4085
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.4079 0.9109
Brugia malayi Trypsin-like protease protein 5 0.0049 0.8304 0.7963
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.4411 0.481
Leishmania major hypothetical protein, conserved 0.003 0.4079 0.5
Onchocerca volvulus 0.0049 0.8304 0.8155
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.2062 0.3708
Schistosoma mansoni hypothetical protein 0.0049 0.8304 0.859
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.9611 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0049 0.8304 0.859
Brugia malayi Trypsin family protein 0.0049 0.8304 0.7963
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.3995 0.5463
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.2106 0.288
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.2684 0.1461
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.2773 0.3792
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.9378 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0049 0.8304 0.859
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.9611 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.9611 1
Onchocerca volvulus 0.0052 0.8961 0.9285
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0049 0.8304 0.859
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.4079 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.4079 0.5
Mycobacterium ulcerans hypothetical protein 0.0049 0.8304 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.8304 0.8585
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0049 0.8304 0.859
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.4079 0.5
Brugia malayi hypothetical protein 0.003 0.4079 0.289
Brugia malayi Trypsin family protein 0.0049 0.8304 0.7963
Entamoeba histolytica hypothetical protein 0.0043 0.6981 0.5
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.4411 0.6033
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.3995 0.3452
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.3995 0.2789
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0049 0.8304 0.7963
Brugia malayi Trypsin family protein 0.0049 0.8304 0.7963
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.9611 1
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.2877 0.3934
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0049 0.8304 0.859
Echinococcus granulosus enteropeptidase 0.0049 0.8304 0.859
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.3554 0.3444
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.6981 0.7164
Entamoeba histolytica hypothetical protein 0.0043 0.6981 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0049 0.8304 0.859
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0049 0.8304 0.859
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.3995 0.4065
Loa Loa (eye worm) hypothetical protein 0.0049 0.8304 0.8585
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.9611 1
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.7312 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.3995 0.5463
Loa Loa (eye worm) hypothetical protein 0.003 0.4079 0.4012
Loa Loa (eye worm) hypothetical protein 0.0049 0.8304 0.8585
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.3995 0.3452
Brugia malayi Trypsin family protein 0.0049 0.8304 0.7963
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.6981 0.7164
Schistosoma mansoni cercarial elastase (S01 family) 0.0049 0.8304 0.859
Echinococcus multilocularis glycoprotein Antigen 5 0.0049 0.8304 0.859
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.9611 1
Loa Loa (eye worm) fatty acid synthase 0.003 0.3905 0.3824
Schistosoma mansoni cercarial elastase (S01 family) 0.0049 0.8304 0.859
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.4411 0.481
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.1639 0.2574
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.2877 0.2064
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.4411 0.6033
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0049 0.8304 0.859
Schistosoma mansoni cercarial elastase (S01 family) 0.0049 0.8304 0.859
Onchocerca volvulus 0.0049 0.8304 0.8155
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0049 0.8304 0.859
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.6981 0.7164

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 4.94 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the thioesterase domain of fatty acid synthase via a kinetic, fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 5.88 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of the thioesterase domain of fatty acid synthase via a fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 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) 10.3225 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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.
 
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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