Detailed information for compound 1358115

Basic information

Technical information
  • TDR Targets ID: 1358115
  • Name: 1-hydroxy-3-(4-methoxyphenyl)-2-methyl-6-oxo- 7-azabicyclo[3.2.1]octane-4,4,5-tricarbonitri le
  • MW: 336.345 | Formula: C18H16N4O3
  • H donors: 2 H acceptors: 5 LogP: 0.5 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1(C#N)C(c2ccc(cc2)OC)C(C)C2(CC1(C#N)C(=O)N2)O
  • InChi: 1S/C18H16N4O3/c1-11-14(12-3-5-13(25-2)6-4-12)17(9-20,10-21)16(8-19)7-18(11,24)22-15(16)23/h3-6,11,14,24H,7H2,1-2H3,(H,22,23)
  • InChiKey: LSFCELFCWAUWCH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-hydroxy-6-keto-3-(4-methoxyphenyl)-2-methyl-7-azabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
  • TimTec1_002595
  • 5-Hydroxy-3-(4-methoxyphenyl)-4-methyl-7-oxo-6-azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile
  • 6-Azabicyclo[3.2.1]octane-1,2,2-tricarbonitrile, 5-hydroxy-3-(4-methoxyphenyl)-4-methyl-7-oxo-
  • 5-Hydroxy-3-(4-methoxy-phenyl)-4-methyl-7-oxo-6-aza-bicyclo[3.2.1]octane-1,2,2-tricarbonitrile
  • MLS001029862
  • SMR000426801
  • A2338/0098681
  • Oprea1_200123

Targets

Known targets for this compound

No curated genes were found associated with this compound

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 rhodopsin-like orphan GPCR 0.0022 0.0015 0.0028
Echinococcus multilocularis dro:myosuppressin receptor 0.0022 0.0015 0.0036
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Schistosoma mansoni amine GPCR 0.0022 0.0015 0.0028
Schistosoma mansoni alpha-glucosidase 0.0169 0.3485 0.6646
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Echinococcus granulosus 7TM GPCR rhodopsin 0.0022 0.0015 0.0036
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0022 0.0015 0.0028
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0525 0.1001
Brugia malayi MH2 domain containing protein 0.0144 0.2893 0.3662
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0113 0.2161 0.5233
Toxoplasma gondii beta tubulin 0.0026 0.0124 0.0935
Loa Loa (eye worm) neuropeptide F receptor 0.0022 0.0015 0.0019
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0063 0.0996 0.126
Brugia malayi Serotonin receptor 0.0022 0.0015 0.0019
Brugia malayi Melatonin receptor type 1A 0.0022 0.0015 0.0019
Echinococcus multilocularis neuropeptide Y receptor 0.0022 0.0015 0.0036
Brugia malayi Calcitonin receptor-like protein seb-1 0.0357 0.7901 1
Echinococcus granulosus g-protein coupled receptor 0.0022 0.0015 0.0036
Echinococcus multilocularis neuropeptides capa receptor 0.0022 0.0015 0.0036
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0022 0.0015 0.0036
Entamoeba histolytica tubulin family protein 0.0026 0.0124 0.234
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0033 0.0288 0.2175
Trypanosoma brucei beta tubulin 0.0026 0.0124 0.0935
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0525 0.1272
Plasmodium falciparum ataxin-2 like protein, putative 0.0077 0.1326 1
Trypanosoma brucei beta tubulin 0.0026 0.0124 0.0935
Brugia malayi neuropeptide F receptor 0.0022 0.0015 0.0019
Echinococcus multilocularis Aminotransferase class III 0.0063 0.0996 0.2412
Brugia malayi TAR-binding protein 0.0063 0.0977 0.1237
Schistosoma mansoni opsin-like receptor 0.0022 0.0015 0.0028
Brugia malayi hypothetical protein 0.0077 0.1326 0.1678
Leishmania major beta tubulin 0.0026 0.0124 0.0935
Echinococcus granulosus Tubulin beta 2C chain 0.0026 0.0124 0.03
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0182 0.3783 0.7213
Brugia malayi Dopamine receptor 0.0022 0.0015 0.0019
Leishmania major beta tubulin 0.0026 0.0124 0.0935
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.053 0.053
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0022 0.0015 0.0028
Trypanosoma brucei beta tubulin 0.0026 0.0124 0.0935
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0015 0.0036
Echinococcus multilocularis somatostatin receptor 0.0022 0.0015 0.0036
Schistosoma mansoni alpha-glucosidase 0.0169 0.3485 0.6646
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0357 0.7901 1
Echinococcus granulosus g protein coupled receptor 0.0022 0.0015 0.0036
Loa Loa (eye worm) tubulin beta chain 0.0026 0.0124 0.0157
Leishmania major beta tubulin 0.0026 0.0124 0.0935
Trichomonas vaginalis tubulin, putative 0.0026 0.0124 0.0124
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0977 0.1863
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.053 0.1284
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0182 0.3783 0.9161
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Schistosoma mansoni myosin xvIII 0.0022 0.0015 0.0028
Loa Loa (eye worm) RNA binding protein 0.0063 0.0977 0.1237
Trypanosoma brucei PAB1-binding protein , putative 0.0077 0.1326 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0022 0.0015 0.0028
Echinococcus granulosus neuropeptide Y receptor 0.0022 0.0015 0.0036
Brugia malayi putative neuropeptide receptor 0.0022 0.0015 0.0019
Echinococcus granulosus tubulin beta 4A class IVa 0.0026 0.0124 0.03
Echinococcus granulosus orexin receptor type 2 0.0022 0.0015 0.0036
Echinococcus multilocularis ornithine aminotransferase 0.0063 0.0996 0.2412
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2893 0.3662
Echinococcus granulosus tar DNA binding protein 0.0063 0.0977 0.2367
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.4129 0.5226
Echinococcus multilocularis g protein coupled receptor 0.0022 0.0015 0.0036
Plasmodium vivax ataxin-2 like protein, putative 0.0077 0.1326 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0182 0.3783 0.9161
Echinococcus multilocularis neuropeptide FF receptor 2 0.0022 0.0015 0.0036
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0015 0.0036
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0026 0.0124 0.03
Echinococcus multilocularis neuropeptide receptor 0.0022 0.0015 0.0036
Brugia malayi hypothetical protein 0.0022 0.0015 0.0019
Echinococcus granulosus rhodopsin orphan GPCR 0.0022 0.0015 0.0036
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0446 1 1
Schistosoma mansoni amine GPCR 0.0022 0.0015 0.0028
Onchocerca volvulus 0.0114 0.2179 1
Brugia malayi isocitrate dehydrogenase 0.0033 0.0288 0.0365
Echinococcus multilocularis tubulin subunit beta 0.0026 0.0124 0.03
Schistosoma mansoni growth hormone secretagogue receptor 0.0022 0.0015 0.0028
Loa Loa (eye worm) latrophilin receptor protein 2 0.0113 0.2161 0.2735
Echinococcus granulosus tm gpcr rhodopsin 0.0022 0.0015 0.0036
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0022 0.0015 0.0028
Echinococcus granulosus rhodopsin orphan GPCR 0.0022 0.0015 0.0036
Echinococcus granulosus neuropeptides capa receptor 0.0022 0.0015 0.0036
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0022 0.0015 0.0036
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0015 0.0036
Echinococcus granulosus fmrfamide receptor 0.0022 0.0015 0.0036
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0022 0.0015 0.0028
Echinococcus granulosus biogenic amine 5HT receptor 0.0022 0.0015 0.0036
Schistosoma mansoni neuropeptide receptor 0.0022 0.0015 0.0028
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0022 0.0015 0.0036
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0022 0.0015 0.0028
Loa Loa (eye worm) hypothetical protein 0.0357 0.7901 1
Schistosoma mansoni opsin-like receptor 0.0022 0.0015 0.0028
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0022 0.0015 0.0028
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0977 0.1237
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Brugia malayi hypothetical protein 0.0022 0.0015 0.0019
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.0288 0.0698
Echinococcus granulosus rhodopsin orphan GPCR 0.0022 0.0015 0.0036
Loa Loa (eye worm) G-protein coupled receptor 0.0022 0.0015 0.0019
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0977 0.1237
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.053 0.053
Leishmania major beta tubulin 0.0026 0.0124 0.0935
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.4129 1
Entamoeba histolytica hypothetical protein 0.0043 0.0525 0.9906
Schistosoma mansoni neuropeptide f receptor 76f 0.0022 0.0015 0.0028
Echinococcus granulosus neuropeptide FF receptor 2 0.0022 0.0015 0.0036
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.053 0.053
Leishmania major beta tubulin 0.0026 0.0124 0.0935
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Brugia malayi G-protein coupled receptor 0.0022 0.0015 0.0019
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.053 0.053
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Echinococcus multilocularis isocitrate dehydrogenase 0.0033 0.0288 0.0698
Leishmania major beta tubulin 0.0026 0.0124 0.0935
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Mycobacterium ulcerans hypothetical protein 0.0446 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0022 0.0015 0.0028
Brugia malayi RNA binding protein 0.0063 0.0977 0.1237
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0022 0.0015 0.0028
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0063 0.0996 0.0996
Brugia malayi larval opioid receptor 0.0022 0.0015 0.0019
Mycobacterium ulcerans L-lysine aminotransferase 0.0063 0.0996 0.0996
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0063 0.0996 0.0996
Schistosoma mansoni neuropeptide receptor 0.0022 0.0015 0.0028
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2893 0.3662
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0182 0.3783 0.7213
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.053 0.0671
Echinococcus granulosus hypothetical protein 0.0022 0.0015 0.0036
Echinococcus granulosus neuropeptides capa receptor 0.0022 0.0015 0.0036
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0063 0.0996 0.0996
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.053 0.053
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0022 0.0015 0.0036
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Leishmania major beta tubulin 0.0026 0.0124 0.0935
Echinococcus multilocularis neuropeptide receptor 0.0022 0.0015 0.0036
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.4129 1
Plasmodium vivax tubulin beta chain, putative 0.0026 0.0124 0.0935
Brugia malayi Tachykinin-like peptides receptor 99D 0.0022 0.0015 0.0019
Echinococcus multilocularis beta tubulin 0.0026 0.0124 0.03
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0022 0.0015 0.0028
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0022 0.0015 0.0019
Echinococcus granulosus dro:myosuppressin receptor 0.0022 0.0015 0.0036
Echinococcus granulosus biogenic amine 5HT receptor 0.0022 0.0015 0.0036
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0063 0.0996 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.0288 0.0698
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0022 0.0015 0.0036
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0022 0.0015 0.0028
Schistosoma mansoni tubulin subunit beta 0.0026 0.0124 0.0236
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0022 0.0015 0.0036
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0182 0.3783 0.4787
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Schistosoma mansoni hypothetical protein 0.0035 0.0321 0.0612
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0022 0.0015 0.0028
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Brugia malayi Serotonin receptor 0.0022 0.0015 0.0019
Echinococcus multilocularis Tubulin beta 2C chain 0.0026 0.0124 0.03
Brugia malayi hypothetical protein 0.0022 0.0015 0.0019
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0022 0.0015 0.0019
Trichomonas vaginalis tubulin beta chain, putative 0.0026 0.0124 0.0124
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0608 0.1159
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Loa Loa (eye worm) BEN-1 protein 0.0026 0.0124 0.0157
Echinococcus granulosus neuropeptide s receptor 0.0022 0.0015 0.0036
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.053 0.053
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.053 0.053
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.0288 0.2175
Echinococcus granulosus peptide allatostatin:somatostatin 0.0022 0.0015 0.0036
Echinococcus granulosus somatostatin receptor 0.0022 0.0015 0.0036
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.053 0.053
Loa Loa (eye worm) G-protein coupled receptor 0.0022 0.0015 0.0019
Schistosoma mansoni amine GPCR 0.0022 0.0015 0.0028
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0608 0.1159
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0043 0.0515 0.0652
Loa Loa (eye worm) tubulin beta-2A chain 0.0026 0.0124 0.0157
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.053 0.3999
Loa Loa (eye worm) hypothetical protein 0.0244 0.5244 0.6637
Brugia malayi hypothetical protein 0.0022 0.0015 0.0019
Brugia malayi hypothetical protein 0.0022 0.0015 0.0019
Echinococcus multilocularis Tubulin beta 2C chain 0.0026 0.0124 0.03
Echinococcus granulosus Tubulin beta 2C chain 0.0026 0.0124 0.03
Brugia malayi hypothetical protein 0.0022 0.0015 0.0019
Echinococcus multilocularis tubulin beta 1 chain 0.0026 0.0124 0.03
Brugia malayi latrophilin 2 splice variant baaae 0.0244 0.5244 0.6637
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0063 0.0996 0.0996
Toxoplasma gondii isocitrate dehydrogenase 0.0033 0.0288 0.2175
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0063 0.0996 0.0996
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Schistosoma mansoni tubulin subunit beta 0.0026 0.0124 0.0236
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0357 0.7901 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0022 0.0015 0.0019
Echinococcus multilocularis orexin receptor type 2 0.0022 0.0015 0.0036
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.4129 0.5226
Trypanosoma cruzi PAB1-binding protein , putative 0.0077 0.1326 1
Schistosoma mansoni hypothetical protein 0.0043 0.0525 0.1001
Brugia malayi hypothetical protein 0.0043 0.0525 0.0665
Schistosoma mansoni biogenic amine receptor 0.0022 0.0015 0.0028
Entamoeba histolytica hypothetical protein 0.0043 0.0525 0.9906
Giardia lamblia Beta tubulin 0.0026 0.0124 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0182 0.3783 0.7213
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0977 0.1237
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0113 0.2161 0.5233
Echinococcus granulosus neuropeptide receptor A26 0.0022 0.0015 0.0036
Brugia malayi GnHR receptor homolog 0.0022 0.0015 0.0019
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0022 0.0015 0.0028
Echinococcus multilocularis beta tubulin 0.0026 0.0124 0.03
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0182 0.3783 0.9161
Echinococcus multilocularis ornithine aminotransferase 0.0063 0.0996 0.2412
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Schistosoma mansoni hypothetical protein 0.0022 0.0015 0.0028
Echinococcus multilocularis g protein coupled receptor 0.0022 0.0015 0.0036
Schistosoma mansoni tubulin subunit beta 0.0026 0.0124 0.0236
Echinococcus granulosus allatostatin A receptor 0.0022 0.0015 0.0036
Schistosoma mansoni alpha-1 adrenergic receptor 0.0022 0.0015 0.0028
Echinococcus multilocularis fmrfamide receptor 0.0022 0.0015 0.0036
Brugia malayi hypothetical protein 0.0022 0.0015 0.0019
Echinococcus granulosus beta tubulin 0.0026 0.0124 0.03
Leishmania major beta tubulin 0.0026 0.0124 0.0935
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0063 0.0996 0.7512
Giardia lamblia Beta tubulin 0.0026 0.0124 1
Schistosoma mansoni hypothetical protein 0.0113 0.2161 0.412
Schistosoma mansoni neuropeptide F-like receptor 0.0022 0.0015 0.0028
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0015 0.0036
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0022 0.0015 0.0036
Echinococcus granulosus ornithine aminotransferase 0.0063 0.0996 0.2412
Echinococcus multilocularis Tubulin beta 2C chain 0.0026 0.0124 0.03
Schistosoma mansoni amine GPCR 0.0022 0.0015 0.0028
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Leishmania major beta tubulin 0.0026 0.0124 0.0935
Giardia lamblia Beta tubulin 0.0026 0.0124 1
Schistosoma mansoni biogenic amine receptor 0.0022 0.0015 0.0028
Leishmania major beta tubulin 0.0026 0.0124 0.0935
Echinococcus multilocularis serotonin receptor 0.0022 0.0015 0.0036
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0022 0.0015 0.0028
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Brugia malayi G protein-coupled receptor 0.0022 0.0015 0.0019
Schistosoma mansoni histamine h1 receptor 0.0022 0.0015 0.0028
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0977 0.1863
Echinococcus granulosus rhodopsin orphan GPCR 0.0022 0.0015 0.0036
Brugia malayi Dopamine receptor protein 1 0.0022 0.0015 0.0019
Echinococcus granulosus tm gpcr rhodopsin 0.0022 0.0015 0.0036
Echinococcus granulosus neuropeptide receptor 0.0022 0.0015 0.0036
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Toxoplasma gondii LsmAD domain-containing protein 0.0077 0.1326 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0026 0.0124 0.03
Echinococcus multilocularis g protein coupled receptor 0.0022 0.0015 0.0036
Schistosoma mansoni alpha glucosidase 0.0044 0.053 0.1011
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0033 0.0288 0.2175
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0022 0.0015 0.0028
Echinococcus multilocularis neuropeptide s receptor 0.0022 0.0015 0.0036
Echinococcus granulosus alpha 1A adrenergic receptor 0.0022 0.0015 0.0036
Echinococcus granulosus g protein coupled receptor 0.0022 0.0015 0.0036
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0063 0.0996 0.0996
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Mycobacterium tuberculosis Probable aminotransferase 0.0446 1 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0977 0.1863
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0113 0.2161 0.5233
Schistosoma mansoni biogenic amine (5HT) receptor 0.0022 0.0015 0.0028
Trichomonas vaginalis tubulin gamma chain, putative 0.0026 0.0124 0.0124
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0022 0.0015 0.0019
Echinococcus granulosus 7tm_1 domain containing protein 0.0022 0.0015 0.0036
Loa Loa (eye worm) neuropeptide F receptor 0.0022 0.0015 0.0019
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0022 0.0015 0.0036
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0022 0.0015 0.0019
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Loa Loa (eye worm) tubulin beta-1 chain 0.0026 0.0124 0.0157
Leishmania major beta tubulin 0.0026 0.0124 0.0935
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0022 0.0015 0.0036
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0015 0.0036
Leishmania major beta tubulin 0.0026 0.0124 0.0935
Schistosoma mansoni biogenic amine receptor 0.0022 0.0015 0.0028
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0043 0.0515 0.1247
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0035 0.0321 0.0777
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.0288 0.2175
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0043 0.0515 0.0652
Brugia malayi beta-tubulin, identical 0.0026 0.0124 0.0157
Schistosoma mansoni hypothetical protein 0.0244 0.5244 1
Echinococcus multilocularis neuropeptide receptor A26 0.0022 0.0015 0.0036
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.053 1
Echinococcus granulosus beta tubulin 0.0026 0.0124 0.03
Schistosoma mansoni adenoreceptor 0.0022 0.0015 0.0028
Plasmodium falciparum tubulin beta chain 0.0026 0.0124 0.0935
Echinococcus granulosus Tubulin beta 2C chain 0.0026 0.0124 0.03
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0022 0.0015 0.0019
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0022 0.0015 0.0036
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0033 0.0288 0.2175
Leishmania major beta tubulin 0.0026 0.0124 0.0935
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0022 0.0015 0.0036
Loa Loa (eye worm) hypothetical protein 0.0113 0.2161 0.2735
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.053 0.1284
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0022 0.0015 0.0019
Schistosoma mansoni hypothetical protein 0.0113 0.2161 0.412
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0022 0.0015 0.0036
Loa Loa (eye worm) beta-tubulin 0.0026 0.0124 0.0157
Schistosoma mansoni hypothetical protein 0.0022 0.0015 0.0028
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0022 0.0015 0.0028
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0022 0.0015 0.0028
Brugia malayi ORL1-like opioid receptor 0.0022 0.0015 0.0019
Echinococcus granulosus tachykinin peptides receptor 99D 0.0022 0.0015 0.0036
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Brugia malayi follicle stimulating hormone receptor 0.0022 0.0015 0.0019
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0446 1 1
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0446 1 1
Echinococcus granulosus tubulin subunit beta 0.0026 0.0124 0.03
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0022 0.0015 0.0019
Loa Loa (eye worm) hypothetical protein 0.0077 0.1326 0.1678
Leishmania major beta tubulin 0.0026 0.0124 0.0935
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.053 0.053
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0033 0.0288 0.2175
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0063 0.0996 0.0996
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Echinococcus granulosus serotonin receptor 0.0022 0.0015 0.0036
Leishmania major beta tubulin 0.0026 0.0124 0.0935
Echinococcus granulosus rhodopsin orphan GPCR 0.0022 0.0015 0.0036
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0033 0.0288 0.2175
Echinococcus multilocularis neuropeptide Y receptor 0.0022 0.0015 0.0036
Echinococcus granulosus Tubulin beta 2C chain 0.0026 0.0124 0.03
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0022 0.0015 0.0036
Echinococcus granulosus Tubulin beta 2C chain 0.0026 0.0124 0.03
Echinococcus multilocularis Tubulin beta 2C chain 0.0026 0.0124 0.03
Brugia malayi sulfakinin receptor protein 0.0022 0.0015 0.0019
Brugia malayi G protein-coupled receptor F59B2.13 0.0022 0.0015 0.0019
Trypanosoma brucei glucosidase, putative 0.0044 0.053 0.3999
Brugia malayi neuropeptide F receptor 0.0022 0.0015 0.0019
Echinococcus granulosus Aminotransferase class III 0.0063 0.0996 0.2412
Schistosoma mansoni tubulin subunit beta 0.0026 0.0124 0.0236
Trichomonas vaginalis tubulin alpha chain, putative 0.0026 0.0124 0.0124
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0033 0.0288 0.0698
Schistosoma mansoni hypothetical protein 0.0113 0.2161 0.412
Brugia malayi Latrophilin receptor protein 2 0.0113 0.2161 0.2735
Echinococcus granulosus G protein coupled receptor 139 0.0022 0.0015 0.0036
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0033 0.0288 0.055
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.053 0.3999
Echinococcus granulosus g protein coupled receptor 0.0022 0.0015 0.0036
Plasmodium falciparum ornithine aminotransferase 0.0063 0.0996 0.7512
Entamoeba histolytica hypothetical protein 0.0043 0.0525 0.9906
Schistosoma mansoni amine GPCR 0.0022 0.0015 0.0028
Brugia malayi hypothetical protein 0.005 0.068 0.086
Schistosoma mansoni neuropeptide receptor 0.0022 0.0015 0.0028
Echinococcus multilocularis allatostatin A receptor 0.0022 0.0015 0.0036
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0063 0.0996 1
Leishmania major beta tubulin 0.0026 0.0124 0.0935
Toxoplasma gondii beta-1 tubulin, putative 0.0026 0.0124 0.0935
Toxoplasma gondii beta-tubulin, putative 0.0026 0.0124 0.0935
Echinococcus multilocularis G-protein coupled receptor, putative 0.0022 0.0015 0.0036
Loa Loa (eye worm) melatonin receptor type 1A 0.0022 0.0015 0.0019
Mycobacterium ulcerans acetylornithine aminotransferase 0.0063 0.0996 0.0996
Schistosoma mansoni hypothetical protein 0.0113 0.2161 0.412
Echinococcus multilocularis serotonin receptor 0.0022 0.0015 0.0036
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.4129 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Echinococcus multilocularis GPCR, family 2 0.0113 0.2161 0.5233
Echinococcus multilocularis sex peptide receptor 0.0022 0.0015 0.0036
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0022 0.0015 0.0028
Echinococcus multilocularis fmrfamide receptor 0.0022 0.0015 0.0036
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.0448 0.0448
Echinococcus multilocularis neuropeptides capa receptor 0.0022 0.0015 0.0036
Schistosoma mansoni neuropeptide receptor 0.0022 0.0015 0.0028
Schistosoma mansoni hypothetical protein 0.0022 0.0015 0.0028
Leishmania major hypothetical protein, conserved 0.0077 0.1326 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Trypanosoma cruzi PAB1-binding protein , putative 0.0077 0.1326 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0022 0.0015 0.0036
Echinococcus granulosus GPCR family 2 0.0113 0.2161 0.5233
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0022 0.0015 0.0028
Loa Loa (eye worm) tubulin beta-4 chain 0.0026 0.0124 0.0157
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0063 0.0996 0.0996
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0022 0.0015 0.0036
Plasmodium vivax ornithine aminotransferase, putative 0.0063 0.0996 0.7512
Echinococcus multilocularis G protein coupled receptor 139 0.0022 0.0015 0.0036
Schistosoma mansoni opsin-like receptor 0.0022 0.0015 0.0028
Loa Loa (eye worm) BEN-1 protein 0.0026 0.0124 0.0157
Brugia malayi Isocitrate dehydrogenase 0.0033 0.0288 0.0365
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.053 0.0671
Entamoeba histolytica tubulin family protein 0.0026 0.0124 0.234
Plasmodium falciparum ataxin-2 like protein, putative 0.0077 0.1326 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0525 0.1272
Echinococcus granulosus neuropeptide Y receptor 0.0022 0.0015 0.0036
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0022 0.0015 0.0036
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0015 0.0036
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0022 0.0015 0.0036
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0022 0.0015 0.0036
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0022 0.0015 0.0036
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.053 0.3999
Toxoplasma gondii isocitrate dehydrogenase 0.0033 0.0288 0.2175
Brugia malayi hypothetical protein 0.0022 0.0015 0.0019
Echinococcus granulosus neuropeptide receptor 0.0022 0.0015 0.0036
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0033 0.0288 0.0698
Echinococcus granulosus sex peptide receptor 0.0022 0.0015 0.0036
Brugia malayi putative neuropeptide receptor NPR1 0.0022 0.0015 0.0019
Trichomonas vaginalis tubulin epsilon chain, putative 0.0026 0.0124 0.0124
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0022 0.0015 0.0028
Schistosoma mansoni tubulin subunit beta 0.0026 0.0124 0.0236
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.053 1
Brugia malayi Tubulin beta-1 chain 0.0026 0.0124 0.0157
Loa Loa (eye worm) TYRA-2 protein 0.0022 0.0015 0.0019
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Schistosoma mansoni hypothetical protein 0.0022 0.0015 0.0028
Brugia malayi AKH receptor 0.0022 0.0015 0.0019
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0035 0.0321 0.0777
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0033 0.0288 0.0698
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0033 0.0288 0.0288
Echinococcus granulosus tm gpcr rhodopsin 0.0022 0.0015 0.0036
Leishmania major beta tubulin 0.0026 0.0124 0.0935
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0113 0.2161 0.2735
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0015 0.0036
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0022 0.0015 0.0036
Trichomonas vaginalis tubulin epsilon chain, putative 0.0026 0.0124 0.0124
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0022 0.0015 0.0028
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0063 0.0996 0.1899
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0022 0.0015 0.0019
Trypanosoma cruzi beta tubulin, putative 0.0026 0.0124 0.0935
Brugia malayi hypothetical protein 0.0022 0.0015 0.0019
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0043 0.0515 0.1247
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0113 0.2161 0.5233
Echinococcus granulosus tubulin beta 1 chain 0.0026 0.0124 0.03
Echinococcus granulosus rhodopsin orphan GPCR 0.0022 0.0015 0.0036
Leishmania major beta tubulin 0.0026 0.0124 0.0935
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0022 0.0015 0.0036
Brugia malayi Dopamine receptor protein 2 0.0022 0.0015 0.0019
Loa Loa (eye worm) hypothetical protein 0.0037 0.0381 0.0483
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0022 0.0015 0.0028
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0022 0.0015 0.0019
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0182 0.3783 0.4787
Schistosoma mansoni neuropeptide F-like receptor 0.0022 0.0015 0.0028
Trypanosoma brucei beta tubulin 0.0026 0.0124 0.0935
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Brugia malayi RE15519p 0.0022 0.0015 0.0019
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.0448 0.0448
Entamoeba histolytica hypothetical protein 0.0043 0.0525 0.9906
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0977 0.2367
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0182 0.3783 0.9161
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.053 0.3999
Brugia malayi hypothetical protein 0.0022 0.0015 0.0019
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0977 0.1863
Loa Loa (eye worm) hypothetical protein 0.0022 0.0015 0.0019
Brugia malayi G-protein coupled receptor 0.0022 0.0015 0.0019
Loa Loa (eye worm) isocitrate dehydrogenase 0.0033 0.0288 0.0365
Echinococcus granulosus rhodopsin orphan GPCR 0.0022 0.0015 0.0036
Echinococcus multilocularis rhodopsin orphan GPCR 0.0022 0.0015 0.0036
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0977 0.1863
Schistosoma mansoni tubulin subunit beta 0.0026 0.0124 0.0236

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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