Detailed information for compound 304699

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 397.507 | Formula: C19H28FN3O3S
  • H donors: 2 H acceptors: 4 LogP: 0.53 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CS(=O)(=O)O.CCCCCCn1nc(c2c1CCNC2)c1ccc(cc1)F
  • InChi: 1S/C18H24FN3.CH4O3S/c1-2-3-4-5-12-22-17-10-11-20-13-16(17)18(21-22)14-6-8-15(19)9-7-14;1-5(2,3)4/h6-9,20H,2-5,10-13H2,1H3;1H3,(H,2,3,4)
  • InChiKey: DFYOTWSEZPMPRK-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Adrenergic receptor alpha-1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni smad1 5 8 and 0.0009 0.0065 0.0065
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0042 0.0845 0.3101
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0845 0.4844
Onchocerca volvulus 0.0023 0.0399 0.165
Echinococcus multilocularis GPCR, family 2 0.0018 0.0292 0.0292
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0269
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0136 0.3062 0.3062
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0269
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0452 0.1056
Schistosoma mansoni tar DNA-binding protein 0.014 0.3152 0.3152
Trichomonas vaginalis alpha-glucosidase, putative 0.0015 0.023 0.1206
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0115 0.0269
Trichomonas vaginalis maltase-glucoamylase, putative 0.0042 0.0845 0.4844
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0115 0.0115
Schistosoma mansoni rab6-interacting 0.0023 0.0399 0.0399
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0115 0.0115
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0375 0.2062
Schistosoma mansoni smad1 5 8 and 0.0009 0.0065 0.0065
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.009 0.199 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0375 0.3818
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.0921 0.3393
Schistosoma mansoni hypothetical protein 0.0023 0.0399 0.0399
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0025 0.0452 0.1056
Brugia malayi RNA binding protein 0.014 0.3152 0.7361
Schistosoma mansoni smad 0.0009 0.0065 0.0065
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0007 0.0037 0.0087
Brugia malayi MH2 domain containing protein 0.0009 0.0065 0.0152
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0118 0.2641 0.2641
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0115 0.0269
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0115 0.0269
Echinococcus multilocularis neutral alpha glucosidase AB 0.0042 0.0845 0.0845
Echinococcus multilocularis Smad4 0.0009 0.0065 0.0065
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0017 0.0258 0.0258
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0187 0.4281 1
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0115 0.0115
Echinococcus granulosus neutral alpha glucosidase AB 0.0042 0.0845 0.0845
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.2805 0.6552
Loa Loa (eye worm) hypothetical protein 0.009 0.199 0.4647
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0042 0.0845 0.4136
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0115 0.0115
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0292 0.0683
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0103 0.2282 0.2282
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.1216 0.2841
Echinococcus granulosus geminin 0.0178 0.4064 0.4064
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0375 0.4177
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0042 0.0042
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0115 0.0269
Schistosoma mansoni alpha glucosidase 0.0042 0.0845 0.0845
Brugia malayi hypothetical protein 0.0023 0.0399 0.0933
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0037 0.0546
Onchocerca volvulus 0.0108 0.2419 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0015 0.023 0.1206
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0292 0.0292
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0115 0.0115
Onchocerca volvulus 0.0007 0.0037 0.0154
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0118 0.2641 0.2641
Brugia malayi CXXC zinc finger family protein 0.003 0.0576 0.1346
Loa Loa (eye worm) hypothetical protein 0.0023 0.0399 0.0933
Onchocerca volvulus 0.0007 0.0037 0.0154
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0115 0.0115
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.014 0.3152 0.7361
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0037 0.0546
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.0375 0.1728
Echinococcus granulosus GPCR family 2 0.0018 0.0292 0.0292
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0042 0.0845 0.4844
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0115 0.0115
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0115 0.0115
Schistosoma mansoni rab6-interacting 0.0023 0.0399 0.0399
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0452 1
Loa Loa (eye worm) hypothetical protein 0.0172 0.3914 0.9142
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0042 0.0845 0.1973
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0375 0.4177
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.028 0.6071
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0042 0.0042
Plasmodium vivax multidomain scavenger receptor, putative 0.0023 0.0399 0.4097
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0115 0.0269
Toxoplasma gondii melibiase subfamily protein 0.0118 0.2641 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0399 0.0399
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.2282 0.2282
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0115 0.0115
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0152 0.3456 0.3456
Echinococcus multilocularis lysosomal alpha glucosidase 0.0187 0.4281 0.4281
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0065 0.0152
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0115 0.0269
Schistosoma mansoni hypothetical protein 0.043 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0292 0.0292
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0576 0.1346
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0269
Echinococcus granulosus smad 0.0009 0.0065 0.0065
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0115 0.0269
Schistosoma mansoni alpha-glucosidase 0.0161 0.3666 0.3666
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0115 0.0269
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0452 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0065 0.0065
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0789 0.1842
Schistosoma mansoni ap endonuclease 0.0022 0.0375 0.0375
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0115 0.0115
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0115 0.0115
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0452 0.1056
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0269
Schistosoma mansoni hypothetical protein 0.0018 0.0292 0.0292
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0115 0.0269
Schistosoma mansoni acetyl-CoA synthetase 0.0007 0.0037 0.0037
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0452 1
Brugia malayi RNA recognition motif domain containing protein 0.014 0.3152 0.7361
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0452 0.2125
Schistosoma mansoni hypothetical protein 0.0039 0.0789 0.0789
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0152 0.3456 0.3456
Loa Loa (eye worm) hypothetical protein 0.0019 0.0304 0.0709
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0115 0.0115
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0452 0.5139
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.1301 0.4853
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0115 0.0269
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.009 0.199 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0115 0.0269
Echinococcus multilocularis cpg binding protein 0.0032 0.0617 0.0617
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0375 0.8231
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0115 0.0115
Onchocerca volvulus 0.003 0.0576 0.2383
Echinococcus multilocularis tar DNA binding protein 0.014 0.3152 0.3152
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0375 0.0875
Brugia malayi Glycosyl hydrolases family 31 protein 0.0015 0.023 0.0537
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0115 0.0115
Brugia malayi Smad1 0.0009 0.0065 0.0152
Echinococcus granulosus tar DNA binding protein 0.014 0.3152 0.3152
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0375 0.8129
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0115 0.0115
Schistosoma mansoni ap endonuclease 0.0022 0.0375 0.0375
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0042 0.0845 0.4136
Loa Loa (eye worm) Smad1 0.0009 0.0065 0.0152
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0375 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0452 0.1056
Echinococcus multilocularis lysosomal alpha glucosidase 0.0187 0.4281 0.4281
Brugia malayi Melibiase family protein 0.0079 0.1716 0.4009
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0375 0.5
Toxoplasma gondii exonuclease III APE 0.0022 0.0375 0.1295
Loa Loa (eye worm) hypothetical protein 0.0019 0.0304 0.0709
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0375 0.0375
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0375 0.4177
Schistosoma mansoni loxhd1 0.0023 0.0399 0.0399
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0115 0.0269
Schistosoma mansoni lipoxygenase 0.0095 0.21 0.21
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0115 0.0476
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.0921 0.0921
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.0921 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0115 0.0476
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0452 1
Mycobacterium ulcerans hypothetical protein 0.0025 0.0452 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0452 0.2125
Onchocerca volvulus 0.0007 0.0037 0.0154
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0115 0.0269
Brugia malayi TAR-binding protein 0.014 0.3152 0.7361
Trichomonas vaginalis maltase-glucoamylase, putative 0.0015 0.023 0.1206
Loa Loa (eye worm) hypothetical protein 0.0039 0.0789 0.1842
Brugia malayi ecdysteroid receptor 0.0011 0.0115 0.0269
Schistosoma mansoni tar DNA-binding protein 0.014 0.3152 0.3152
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0452 1
Schistosoma mansoni tar DNA-binding protein 0.014 0.3152 0.3152
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0115 0.0115
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0037 0.0546
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.0921 0.3393
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0042 0.0042
Echinococcus multilocularis RUN 0.0023 0.0399 0.0399
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0399 0.0399
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0115 0.0269
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0085 0.0085
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0042 0.0845 0.4844
Trichomonas vaginalis sucrase-isomaltase, putative 0.0042 0.0845 0.4844
Schistosoma mansoni cpg binding protein 0.0032 0.0617 0.0617
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0115 0.0269
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0304 0.5
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0082 0.0192
Brugia malayi Muscleblind-like protein 0.0172 0.3914 0.9142
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0065 0.0065
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0118 0.2641 0.2641
Schistosoma mansoni hypothetical protein 0.0018 0.0292 0.0292
Brugia malayi Glycosyl hydrolases family 31 protein 0.0187 0.4281 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.1216 0.2841
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0015 0.023 0.2384
Loa Loa (eye worm) hypothetical protein 0.0019 0.0304 0.0709
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0452 0.5139
Schistosoma mansoni polycystin 1-related 0.0023 0.0399 0.0399
Brugia malayi acetyltransferase, GNAT family protein 0.0152 0.3456 0.8073
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0015 0.023 0.2384
Loa Loa (eye worm) TAR-binding protein 0.014 0.3152 0.7361
Schistosoma mansoni hypothetical protein 0.0178 0.4064 0.4064
Onchocerca volvulus 0.0023 0.0399 0.165
Loa Loa (eye worm) hypothetical protein 0.0057 0.1216 0.2841
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0304 0.3349
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0103 0.2282 0.2282
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0375 0.2062
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.2282 0.2282
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.0921 0.5294
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0269
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0452 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0269
Echinococcus granulosus cpg binding protein 0.0032 0.0617 0.0617
Leishmania major alpha glucosidase II subunit, putative 0.0042 0.0845 1
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0037 0.0087
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0018 0.0292 0.0683
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0845 0.4844
Onchocerca volvulus 0.0025 0.0452 0.1869
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0085 0.0198
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0845 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0015 0.023 0.1206
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0452 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0269
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0375 0.4177
Echinococcus multilocularis smad 0.0009 0.0065 0.0065
Echinococcus granulosus RUN 0.0023 0.0399 0.0399
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0304 0.6421
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0115 0.0269
Brugia malayi hypothetical protein 0.0023 0.0399 0.0933
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0399 0.0399
Brugia malayi MH1 domain containing protein 0.0009 0.0065 0.0152
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0845 0.4844
Echinococcus multilocularis geminin 0.0178 0.4064 0.4064
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0037 0.0087
Brugia malayi MH1 domain containing protein 0.0009 0.0065 0.0152
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0292 0.0683
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0115 0.0115
Schistosoma mansoni coup transcription factor 0.0011 0.0115 0.0115
Schistosoma mansoni hypothetical protein 0.0178 0.4064 0.4064
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0118 0.2641 0.2641
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0118 0.2641 0.2641
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0079 0.1716 0.1716
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0015 0.023 0.0986
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0037 0.0087
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0037 0.0067
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0845 0.4844
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.1216 0.2841
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0015 0.023 0.1206
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0115 0.0269
Loa Loa (eye worm) hypothetical protein 0.0079 0.1716 0.4009
Schistosoma mansoni Smad4 0.0009 0.0065 0.0065
Schistosoma mansoni lipoxygenase 0.0136 0.3062 0.3062
Brugia malayi steroid hormone receptor 0.0011 0.0115 0.0269
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0115 0.0115
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.0833 0.4075
Loa Loa (eye worm) acetyltransferase 0.0152 0.3456 0.8073
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0452 0.2125
Loa Loa (eye worm) hypothetical protein 0.0011 0.0115 0.0269
Echinococcus multilocularis muscleblind protein 0.0172 0.3914 0.3914
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0292 0.0683
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0452 0.5139
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0115 0.0115
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0115 0.0115
Loa Loa (eye worm) hypothetical protein 0.0023 0.0399 0.0933
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0015 0.023 0.0537
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0065 0.0065
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.028 0.6071
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0037 0.0546
Echinococcus granulosus histone acetyltransferase KAT2B 0.0148 0.3356 0.3356
Loa Loa (eye worm) hypothetical protein 0.0007 0.0037 0.0087
Trichomonas vaginalis alpha-glucosidase, putative 0.0015 0.023 0.1206
Echinococcus multilocularis muscleblind protein 1 0.0172 0.3914 0.3914
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0037 0.0546
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0115 0.0269
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0037 0.0087
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.0921 0.5294
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0115 0.0269
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0304 0.3016
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0452 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.028 0.6071
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0118 0.2641 0.2641
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0079 0.1716 0.1716
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0103 0.2282 0.2282
Echinococcus multilocularis dnaJ subfamily B 0.043 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0015 0.023 0.1206
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.028 0.6071
Trichomonas vaginalis alpha-glucosidase, putative 0.0042 0.0845 0.4844
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0037 0.0546
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0037 0.0067
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0085 0.0085
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0452 1
Schistosoma mansoni tar DNA-binding protein 0.014 0.3152 0.3152
Leishmania major glycosyl hydrolase-like protein 0.0015 0.023 0.2384
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0007 0.0037 0.0037
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0007 0.0037 0.0087
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0452 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0118 0.2641 0.2641
Trichomonas vaginalis alpha-glucosidase, putative 0.0015 0.023 0.1206
Schistosoma mansoni cpg binding protein 0.0032 0.0617 0.0617
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0042 0.0042
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0065 0.0065
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0115 0.0115
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0399 0.0399
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0375 0.424
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0136 0.3062 0.3062
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0015 0.023 0.095
Brugia malayi MH2 domain containing protein 0.0009 0.0065 0.0152
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0452 0.1056
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0452 1
Brugia malayi nuclear hormone receptor 0.0011 0.0115 0.0269
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0103 0.2282 0.2282
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0292 0.0292
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0037 0.0546
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0115 0.0269
Echinococcus granulosus Smad4 0.0009 0.0065 0.0065
Schistosoma mansoni cpg binding protein 0.003 0.0576 0.0576
Brugia malayi Doublecortin family protein 0.0023 0.0399 0.0933
Loa Loa (eye worm) hypothetical protein 0.0019 0.0304 0.0709
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0037 0.0546
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0037 0.0546
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0115 0.0115
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0065 0.0152
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.1374 0.1374
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0845 1
Onchocerca volvulus 0.0007 0.0037 0.0154
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0115 0.0269
Trypanosoma brucei glucosidase, putative 0.0042 0.0845 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0115 0.0269
Plasmodium falciparum histone acetyltransferase GCN5 0.0041 0.0833 1
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0037 0.0087
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0103 0.2282 0.5329
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0079 0.1716 1
Loa Loa (eye worm) doublecortin family protein 0.0023 0.0399 0.0933
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0115 0.0115
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0115 0.0269
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.2805 0.6552
Echinococcus granulosus muscleblind protein 0.0172 0.3914 0.3914
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0375 0.0375
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0115 0.0115
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0115 0.0476
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0103 0.2282 0.5329
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0115 0.0269
Loa Loa (eye worm) hypothetical protein 0.0025 0.0452 0.1056
Echinococcus multilocularis Polycystic kidney disease protein 0.0023 0.0399 0.0399
Schistosoma mansoni hypothetical protein 0.0018 0.0292 0.0292
Echinococcus granulosus lysosomal alpha glucosidase 0.0187 0.4281 0.4281
Schistosoma mansoni alpha-glucosidase 0.0161 0.3666 0.3666
Schistosoma mansoni hypothetical protein 0.0018 0.0292 0.0292
Brugia malayi MH2 domain containing protein 0.0125 0.2805 0.6552
Plasmodium falciparum LCCL domain-containing protein 0.0023 0.0399 0.455
Loa Loa (eye worm) hypothetical protein 0.0172 0.3914 0.9142
Trypanosoma brucei glycosyl hydrolase-like protein 0.0015 0.023 0.2384
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0115 0.0115
Loa Loa (eye worm) oxidoreductase 0.0007 0.0037 0.0087
Loa Loa (eye worm) hypothetical protein 0.0019 0.0304 0.0709
Loa Loa (eye worm) hypothetical protein 0.0007 0.0037 0.0087
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0304 0.6617
Schistosoma mansoni tar DNA-binding protein 0.014 0.3152 0.3152
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0115 0.0115
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0007 0.0037 0.0037
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0115 0.0115
Onchocerca volvulus 0.0011 0.0115 0.0476
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0375 0.0875
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0065 0.0065
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0037 0.0546
Echinococcus granulosus Polycystic kidney disease protein 0.0023 0.0399 0.0399
Toxoplasma gondii Alpha-galactosidase 0.0017 0.0258 0.0847
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.2282 0.2282
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0115 0.0115
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0037 0.0087
Brugia malayi Glycosyl hydrolases family 31 protein 0.0042 0.0845 0.1973
Loa Loa (eye worm) RNA binding protein 0.014 0.3152 0.7361
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0292 0.0292
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0037 0.0546
Giardia lamblia Histone acetyltransferase GCN5 0.0041 0.0833 1
Brugia malayi nuclear receptor NHR-88 0.0011 0.0115 0.0269
Schistosoma mansoni smad1 5 8 and 0.0009 0.0065 0.0065

Activities

Activity type Activity value Assay description Source Reference
Delta p (functional) = 0 % Antihypertensive activity on spontaneously hypertensive rats when administered orally at a dose 50 mg/kg. ChEMBL. 2989524
Ki (binding) = 13 nM Ability to displace [3H]-prazosin from postsynaptic alpha-1 adrenergic receptor of rat in vitro. ChEMBL. 2989524
Ki (binding) = 13 nM Ability to displace [3H]-prazosin from postsynaptic alpha-1 adrenergic receptor of rat in vitro. ChEMBL. 2989524

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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