Detailed information for compound 1280632

Basic information

Technical information
  • TDR Targets ID: 1280632
  • Name: 2-[[4-butan-2-yl-5-(3-morpholin-4-ylsulfonylp henyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan- 2-ylmethyl)acetamide
  • MW: 519.637 | Formula: C23H29N5O5S2
  • H donors: 1 H acceptors: 5 LogP: 1.88 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCC(n1c(SCC(=O)NCc2ccco2)nnc1c1cccc(c1)S(=O)(=O)N1CCOCC1)C
  • InChi: 1S/C23H29N5O5S2/c1-3-17(2)28-22(25-26-23(28)34-16-21(29)24-15-19-7-5-11-33-19)18-6-4-8-20(14-18)35(30,31)27-9-12-32-13-10-27/h4-8,11,14,17H,3,9-10,12-13,15-16H2,1-2H3,(H,24,29)
  • InChiKey: FJQAOLQUFRELET-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-furylmethyl)-2-[[5-(3-morpholinosulfonylphenyl)-4-sec-butyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
  • N-(2-furylmethyl)-2-[[5-(3-morpholinosulfonylphenyl)-4-sec-butyl-1,2,4-triazol-3-yl]thio]acetamide
  • 2-[[4-butan-2-yl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)ethanamide
  • SMR000154199
  • T5311067
  • MLS000567660

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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
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
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
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.002 0.0332 0.0925
Brugia malayi Cation transporter family protein 0.002 0.0332 0.0925
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.0271 0.0756
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0217 0.1573
Echinococcus granulosus importin subunit beta 1 0.003 0.0661 0.0661
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0284 0.0791
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.002 0.0332 0.0332
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.002 0.0332 0.0332
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1482 0.4132
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.3123 0.8899
Echinococcus granulosus glycogen phosphorylase 0.012 0.3588 0.3588
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0052 0.1379 0.3875
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0479 0.0777
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0215 0.0215
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0018 0.0271 0.0756
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.002 0.0332 0.0332
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0449 0.1198
Echinococcus granulosus tar DNA binding protein 0.0062 0.1709 0.1709
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0217 0.1573
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.0039
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.002 0.0332 0.0925
Loa Loa (eye worm) hypothetical protein 0.002 0.0332 0.0332
Echinococcus granulosus ecdysone induced protein 78C 0.0018 0.0271 0.0271
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0449 0.3092
Loa Loa (eye worm) hypothetical protein 0.0023 0.0449 0.0449
Onchocerca volvulus Bile acid receptor homolog 0.0018 0.0271 0.0656
Schistosoma mansoni nAChR subunit 0.002 0.0332 0.0332
Loa Loa (eye worm) hypothetical protein 0.0017 0.0259 0.0259
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0018 0.0271 0.0271
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0284 0.0682
Brugia malayi MH2 domain containing protein 0.0117 0.3489 0.9724
Loa Loa (eye worm) ACC-1 protein 0.002 0.0332 0.0332
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0259 0.1676
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.1336 0.3722
Trypanosoma brucei cytochrome P450, putative 0.0019 0.0312 0.2389
Loa Loa (eye worm) hypothetical protein 0.0018 0.0271 0.0271
Schistosoma mansoni importin beta-1 0.003 0.0661 0.0661
Loa Loa (eye worm) hypothetical protein 0.0017 0.0259 0.0259
Schistosoma mansoni nAChR subunit 0.002 0.0332 0.0332
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.002 0.0332 0.0332
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.1198 1
Schistosoma mansoni hypothetical protein 0.0016 0.0215 0.0215
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0449 0.3092
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0449 0.1157
Brugia malayi nuclear receptor NHR-88 0.0018 0.0271 0.0756
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0011 0.0039 0.0039
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.002 0.0332 0.0332
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0217 0.0217
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0052 0.1379 1
Onchocerca volvulus 0.0018 0.0271 0.0656
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.002 0.0332 0.0925
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.1198 0.1198
Leishmania major importin beta-1 subunit, putative 0.0024 0.0479 0.3823
Brugia malayi Cytochrome P450 family protein 0.0048 0.1246 0.3472
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1709 0.1709
Echinococcus multilocularis importin subunit beta 1 0.003 0.0661 0.0661
Loa Loa (eye worm) RNA binding protein 0.0062 0.1709 0.1709
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1482 0.1482
Brugia malayi RNA, U transporter 1 0.0085 0.2441 0.6803
Loa Loa (eye worm) hypothetical protein 0.002 0.0332 0.0332
Loa Loa (eye worm) hypothetical protein 0.0018 0.0271 0.0271
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0817 0.2277
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.002 0.0332 0.0332
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0449 0.3092
Loa Loa (eye worm) GABA receptor subunit 0.0011 0.0039 0.0039
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0406 0.3202
Leishmania major GTP-binding protein, putative 0.0022 0.0406 0.3202
Loa Loa (eye worm) hypothetical protein 0.002 0.0332 0.0332
Echinococcus granulosus Glycosyl transferase family 35 0.012 0.3588 0.3588
Leishmania major trypanothione reductase 0.0046 0.1198 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1482 0.1482
Loa Loa (eye worm) cytochrome P450 0.001 0.0033 0.0033
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0217 0.1573
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.002 0.0332 0.0332
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.3505 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0271 0.0271
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.002 0.0332 0.0332
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0284 0.0284
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.002 0.0332 0.0332
Echinococcus multilocularis nAChR subunit 0.0011 0.0039 0.0039
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.002 0.0332 0.0332
Onchocerca volvulus 0.002 0.0332 0.0826
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.002 0.0332 0.0332
Loa Loa (eye worm) glutathione reductase 0.0046 0.1198 0.1198
Brugia malayi Thioredoxin reductase 0.0046 0.1198 0.334
Echinococcus multilocularis snurportin 1 0.0319 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0018 0.0271 0.0271
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0319 1 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0215 0.0599
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0018 0.0271 0.0271
Brugia malayi Steroid receptor seven-up type 2 0.0018 0.0271 0.0756
Trichomonas vaginalis ran, putative 0.0022 0.0406 0.0563
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0018 0.0271 0.0756
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0406 0.0406
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0449 0.1157
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0011 0.0039 0.0107
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0217 0.1362
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0018 0.0271 0.0271
Echinococcus multilocularis ecdysone induced protein 78C 0.0018 0.0271 0.0271
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0312 0.0312
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0406 0.3202
Echinococcus granulosus glycine receptor subunit alpha 1 0.002 0.0332 0.0332
Schistosoma mansoni hypothetical protein 0.0016 0.0215 0.0215
Loa Loa (eye worm) hypothetical protein 0.0023 0.0449 0.0449
Echinococcus multilocularis FTZ F1 alpha 0.0018 0.0271 0.0271
Loa Loa (eye worm) hypothetical protein 0.002 0.0332 0.0332
Brugia malayi Cytochrome P450 family protein 0.0019 0.0312 0.0869
Loa Loa (eye worm) hypothetical protein 0.002 0.0332 0.0332
Echinococcus multilocularis glycogen phosphorylase 0.012 0.3588 0.3588
Schistosoma mansoni glycogen phosphorylase 0.0052 0.1379 0.1379
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0449 0.1252
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0217 0.1573
Schistosoma mansoni nAChR subunit 0.002 0.0332 0.0332
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.3123 0.8899
Mycobacterium tuberculosis Probable reductase 0.0106 0.3123 0.8899
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0018 0.0271 0.0271
Entamoeba histolytica glycogen phosphorylase, putative 0.012 0.3588 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0018 0.0271 0.0656
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.0039
Trypanosoma brucei trypanothione reductase 0.0046 0.1198 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1709 0.1709
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0661 0.539
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.002 0.0332 0.0332
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0018 0.0271 0.0756
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0018 0.0271 0.0271
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1482 0.1482
Schistosoma mansoni nAChR subunit 0.002 0.0332 0.0332
Loa Loa (eye worm) ACC-1 protein 0.002 0.0332 0.0332
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0479 0.3823
Loa Loa (eye worm) hypothetical protein 0.002 0.0332 0.0332
Brugia malayi TAR-binding protein 0.0062 0.1709 0.4762
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0284 0.0721
Echinococcus multilocularis glycine receptor subunit alpha 1 0.002 0.0332 0.0332
Schistosoma mansoni hypothetical protein 0.0035 0.0817 0.0817
Onchocerca volvulus Glycogen phosphorylase homolog 0.012 0.3588 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.1198 0.1198
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.002 0.0332 0.0925
Entamoeba histolytica glycogen phosphorylase, putative 0.012 0.3588 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0284 1
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.002 0.0332 0.0925
Loa Loa (eye worm) hypothetical protein 0.0051 0.1336 0.1336
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.002 0.0332 0.0925
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0449 0.357
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0217 0.1573
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0018 0.0271 0.0271
Onchocerca volvulus 0.002 0.0332 0.0826
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0284 0.2148
Schistosoma mansoni nAChR subunit 0.002 0.0332 0.0332
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0217 0.1573
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0449 0.1198
Schistosoma mansoni ran 0.0022 0.0406 0.0406
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0271 0.0271
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0217 0.1573
Brugia malayi nuclear hormone receptor 0.0018 0.0271 0.0756
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.002 0.0332 0.0925
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.1198 0.3355
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0406 0.3202
Schistosoma mansoni nAChR subunit 0.002 0.0332 0.0332
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0018 0.0271 0.0756
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0217 0.1573
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0284 0.0199
Entamoeba histolytica glycogenphosphorylase, putative 0.0052 0.1379 0.3776
Loa Loa (eye worm) hypothetical protein 0.002 0.0332 0.0332
Echinococcus multilocularis Glycosyl transferase, family 35 0.012 0.3588 0.3588
Echinococcus granulosus nAChR subunit 0.0011 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.002 0.0332 0.0332
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.002 0.0332 0.0925
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0215 0.0215
Plasmodium vivax glutathione reductase, putative 0.0046 0.1198 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0048 0.1246 0.1246
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.002 0.0332 0.0332
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1709 0.4762
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0217 0.0217
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.002 0.0332 0.0925
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.3489 0.3489
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0406 0.0406
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.0039
Schistosoma mansoni nAChR subunit 0.002 0.0332 0.0332
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.0271 0.0271
Brugia malayi Importin beta-1 subunit 0.003 0.0661 0.1843
Schistosoma mansoni ap endonuclease 0.0018 0.0284 0.0284
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1482 0.1482
Schistosoma mansoni coup transcription factor 0.0018 0.0271 0.0271
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.0271 0.0756
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0259 0.0125
Schistosoma mansoni hypothetical protein 0.0166 0.508 0.508
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0018 0.0271 0.0271
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1198 0.1198
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0479 0.0777
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0217 0.1573
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.002 0.0332 0.0925
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0284 0.0682
Loa Loa (eye worm) hypothetical protein 0.0018 0.0271 0.0271
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0449 0.1198
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0217 0.1573
Entamoeba histolytica glycogen phosphorylase, putative 0.0052 0.1379 0.3776
Brugia malayi Cytochrome P450 family protein 0.0019 0.0312 0.0869
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0406 0.0406
Echinococcus multilocularis glycogen phosphorylase 0.012 0.3588 0.3588
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0406 0.1933
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1482 0.1482
Echinococcus multilocularis glycine receptor subunit alpha 1 0.002 0.0332 0.0332
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.002 0.0332 0.0332
Brugia malayi Cation transporter family protein 0.002 0.0332 0.0925
Schistosoma mansoni hypothetical protein 0.0166 0.508 0.508
Schistosoma mansoni thyroid hormone receptor 0.0018 0.0271 0.0271
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.0039
Plasmodium falciparum importin beta, putative 0.003 0.0661 0.4529
Entamoeba histolytica Ran family GTPase 0.0022 0.0406 0.1037
Trichomonas vaginalis glycogen phosphorylase, putative 0.012 0.3588 1
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.002 0.0332 0.0332
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0018 0.0271 0.0271
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0018 0.0271 0.0271
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0284 1
Loa Loa (eye worm) steroid hormone receptor 0.0018 0.0271 0.0271
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1482 0.1482
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.002 0.0332 0.0925
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.002 0.0332 0.0925
Trichomonas vaginalis glycogen phosphorylase, putative 0.012 0.3588 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.002 0.0332 0.0332
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0284 0.0691
Echinococcus granulosus glycine receptor subunit beta 0.002 0.0332 0.0332
Loa Loa (eye worm) LGC-31 protein 0.002 0.0332 0.0332
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.002 0.0332 0.0332
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0215 0.0215
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.002 0.0332 0.0332
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0449 0.3092
Schistosoma mansoni nuclear hormone receptor 0.0018 0.0271 0.0271
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1709 0.1709
Echinococcus granulosus glycogen phosphorylase 0.012 0.3588 0.3588
Loa Loa (eye worm) hypothetical protein 0.002 0.0332 0.0332
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0217 0.1573
Loa Loa (eye worm) hypothetical protein 0.0018 0.0271 0.0271
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0019 0.0312 0.2069
Echinococcus granulosus glycine receptor subunit alpha 1 0.002 0.0332 0.0332
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0217 0.1573
Loa Loa (eye worm) hypothetical protein 0.002 0.0332 0.0332
Loa Loa (eye worm) hypothetical protein 0.002 0.0332 0.0332
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0018 0.0271 0.0271
Loa Loa (eye worm) hypothetical protein 0.0035 0.0817 0.0817
Schistosoma mansoni hypothetical protein 0.001 0.0033 0.0033
Brugia malayi steroid hormone receptor 0.0018 0.0271 0.0756
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.3489 0.3489
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.1336 0.1336
Brugia malayi Cation transporter family protein 0.002 0.0332 0.0925
Echinococcus granulosus nAChR subunit 0.002 0.0332 0.0332
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0018 0.0271 0.0756
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1482 0.1482
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0079 0.0219
Loa Loa (eye worm) hypothetical protein 0.0017 0.0259 0.0259
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0284 0.0284
Onchocerca volvulus 0.002 0.0332 0.0826
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0228 0.0561
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0449 0.3092
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.3505 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.3123 0.8899
Loa Loa (eye worm) hypothetical protein 0.0018 0.0271 0.0271
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.002 0.0332 0.0332
Schistosoma mansoni hypothetical protein 0.0016 0.0215 0.0215
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0284 0.2148
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0079 0.0219
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0259 0.043
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0228 0.0561
Brugia malayi excitatory GABA receptor EXP-1A 0.002 0.0332 0.0925
Onchocerca volvulus 0.002 0.0332 0.0826
Onchocerca volvulus 0.0023 0.0449 0.1157
Loa Loa (eye worm) hypothetical protein 0.002 0.0332 0.0332
Echinococcus granulosus GPCR family 2 0.0016 0.0215 0.0215
Plasmodium vivax importin-beta 2, putative 0.003 0.0661 0.4529
Echinococcus granulosus cytochrome P450 2K1 0.001 0.0033 0.0033
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0284 0.0199
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0217 0.0217
Loa Loa (eye worm) hypothetical protein 0.0018 0.0271 0.0271
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.0271 0.0271
Loa Loa (eye worm) hypothetical protein 0.003 0.0661 0.0661
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0018 0.0271 0.0656
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1709 0.1709
Loa Loa (eye worm) hypothetical protein 0.002 0.0332 0.0332
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1482 0.1482
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.002 0.0332 0.0332
Plasmodium falciparum glutathione reductase 0.0046 0.1198 1
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.002 0.0332 0.0332
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0449 0.3092
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0018 0.0271 0.0271
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0018 0.0271 0.0271
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0449 0.1252
Brugia malayi photoreceptor-specific nuclear receptor 0.0018 0.0271 0.0756
Leishmania major cytochrome p450-like protein 0.0019 0.0312 0.2389
Brugia malayi glutathione reductase 0.0046 0.1198 0.334
Schistosoma mansoni cytochrome P450 0.001 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.002 0.0332 0.0332
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.002 0.0332 0.0332
Loa Loa (eye worm) hypothetical protein 0.0017 0.0259 0.0259
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0106 0.3123 0.8899
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0018 0.0271 0.0271
Echinococcus granulosus glycine receptor subunit alpha 1 0.002 0.0332 0.0332
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0018 0.0271 0.0271
Brugia malayi carbohydrate phosphorylase 0.012 0.3588 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.002 0.0332 0.0925
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0259 0.065
Mycobacterium ulcerans hypothetical protein 0.0023 0.0449 0.3092
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.002 0.0332 0.0925
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.002 0.0332 0.0332
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0018 0.0271 0.0756
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0406 0.1133
Chlamydia trachomatis glycogen phosphorylase 0.012 0.3588 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0332 0.0332
Schistosoma mansoni ran 0.0022 0.0406 0.0406
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.0271 0.0756
Schistosoma mansoni hypothetical protein 0.0319 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.0039
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0011 0.0039 0.0039
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0018 0.0271 0.0271
Echinococcus multilocularis geminin 0.0166 0.508 0.508
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.3505 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.0271 0.0756
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0661 0.539
Brugia malayi RNA binding protein 0.0062 0.1709 0.4762
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.3123 0.8899
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.002 0.0332 0.0332
Loa Loa (eye worm) hypothetical protein 0.0023 0.0449 0.0449
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0018 0.0271 0.0271
Schistosoma mansoni glycogen phosphorylase 0.012 0.3588 0.3588
Entamoeba histolytica hypothetical protein 0.0024 0.0479 0.124
Schistosoma mansoni hypothetical protein 0.0016 0.0215 0.0215
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0284 0.0199
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0217 0.1573
Giardia lamblia Glycogen phosphorylase 0.012 0.3588 1
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.1198 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0215 0.0215
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0018 0.0271 0.0756
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0449 0.357
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0312 0.0312
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.3505 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1709 0.1709
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1709 0.1709
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0449 0.357
Schistosoma mansoni retinoic acid receptor RXR 0.0018 0.0271 0.0271
Loa Loa (eye worm) glycogen phosphorylase 0.012 0.3588 0.3588
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0215 0.0215
Toxoplasma gondii exonuclease III APE 0.0018 0.0284 0.2148
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0217 0.1573
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.0271 0.0756
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0217 0.1362
Loa Loa (eye worm) hypothetical protein 0.0017 0.0259 0.0259
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0284 0.2148
Loa Loa (eye worm) hypothetical protein 0.002 0.0332 0.0332
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.002 0.0332 0.0925
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0217 0.1573
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0215 0.0599
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0406 0.1933
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0217 0.1573
Onchocerca volvulus 0.002 0.0332 0.0826
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0217 0.1573
Toxoplasma gondii thioredoxin reductase 0.0046 0.1198 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.0039
Echinococcus granulosus FTZ F1 alpha 0.0018 0.0271 0.0271
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0217 0.1573
Onchocerca volvulus Putative nachr subunit 0.002 0.0332 0.0826
Entamoeba histolytica glycogen phosphorylase, putative 0.0052 0.1379 0.3776
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.0039
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.002 0.0332 0.0332
Echinococcus granulosus glycine receptor subunit beta 0.002 0.0332 0.0332
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0271 0.0271
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0018 0.0271 0.0271
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0449 0.1198
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.002 0.0332 0.0332
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0011 0.0039 0.0107
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0217 0.1573
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.002 0.0332 0.0332
Brugia malayi cytochrome P450 0.001 0.0033 0.0093
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0271 0.0756
Loa Loa (eye worm) hypothetical protein 0.002 0.0332 0.0332
Loa Loa (eye worm) hypothetical protein 0.002 0.0332 0.0332
Echinococcus multilocularis 0.001 0.0033 0.0033
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0011 0.0039 0.0107
Loa Loa (eye worm) hypothetical protein 0.0016 0.0215 0.0215
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.002 0.0332 0.0332
Schistosoma mansoni ap endonuclease 0.0018 0.0284 0.0284
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0406 0.3202
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0259 0.043
Schistosoma mansoni glycogen phosphorylase 0.012 0.3588 0.3588
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0449 0.3092
Plasmodium falciparum thioredoxin reductase 0.0046 0.1198 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.002 0.0332 0.0925
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0449 0.1157
Onchocerca volvulus 0.002 0.0332 0.0826
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.0039
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.1336 0.3722
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0449 0.1252
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0011 0.0039 0.0107
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0479 0.0777
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0228 0.0561
Schistosoma mansoni thyroid hormone receptor 0.0018 0.0271 0.0271
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0284 0.0284
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1709 0.1709
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0406 0.0563
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0312 0.2389
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0284 0.186
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0217 0.1362
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1709 0.1709
Brugia malayi ecdysteroid receptor 0.0018 0.0271 0.0756
Echinococcus multilocularis thyroid hormone receptor alpha 0.0018 0.0271 0.0271
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0284 0.2148
Loa Loa (eye worm) hypothetical protein 0.002 0.0332 0.0332
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.0271 0.0756
Echinococcus multilocularis nAChR subunit 0.002 0.0332 0.0332
Loa Loa (eye worm) hypothetical protein 0.0018 0.0271 0.0271
Schistosoma mansoni steroid hormone receptor ad4bp 0.0018 0.0271 0.0271
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.0039
Echinococcus multilocularis glycine receptor subunit beta 0.002 0.0332 0.0332
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0312 0.2389
Echinococcus multilocularis GPCR, family 2 0.0016 0.0215 0.0215
Schistosoma mansoni RAR-like nuclear receptor 0.0018 0.0271 0.0271
Loa Loa (eye worm) CYP4Cod1 0.0019 0.0312 0.0312
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.3123 0.8899
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0217 0.0604
Echinococcus granulosus geminin 0.0166 0.508 0.508
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0228 0.0561
Schistosoma mansoni neurotransmitter gated ion channel 0.0011 0.0039 0.0039
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0018 0.0271 0.0271
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0018 0.0271 0.0271
Echinococcus multilocularis glycine receptor subunit beta 0.002 0.0332 0.0332
Brugia malayi Cytochrome P450 family protein 0.001 0.0033 0.0093
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.0217 0.0528
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0018 0.0271 0.0271
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0018 0.0271 0.0271
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0661 0.539

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 99 uM PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3G DNA Deaminase via a fluorescence-based single-stranded DNA deaminase assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 99 uM PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3A DNA Deaminase via a fluorescence-based single-stranded DNA deaminase assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 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) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] 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

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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