Detailed information for compound 1305919

Basic information

Technical information
  • TDR Targets ID: 1305919
  • Name: N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydro-4H-c yclohepta[c]pyrazol-2-yl)acetamide
  • MW: 279.378 | Formula: C15H25N3O2
  • H donors: 1 H acceptors: 2 LogP: 2.03 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOCCCNC(=O)Cn1cc2c(n1)CCCCC2
  • InChi: 1S/C15H25N3O2/c1-2-20-10-6-9-16-15(19)12-18-11-13-7-4-3-5-8-14(13)17-18/h11H,2-10,12H2,1H3,(H,16,19)
  • InChiKey: ZQHKUEXFEJLGPC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanamide
  • SMR000096792
  • MLS000119871

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, 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
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 RNA, U transporter 1 0.0086 0.0215 0.0201
Onchocerca volvulus Tyrosine kinase homolog 0.0515 0.1716 0.1705
Echinococcus multilocularis purine nucleoside phosphorylase 0.2883 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0067 0.0187
Loa Loa (eye worm) hypothetical protein 0.0043 0.0067 0.0091
Echinococcus granulosus tar DNA binding protein 0.0202 0.0623 0.0616
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0028 0.0014 0.0006
Loa Loa (eye worm) hypothetical protein 0.0425 0.1401 0.2041
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0042 0.0048
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0425 0.1401 0.1389
Loa Loa (eye worm) RNA binding protein 0.0202 0.0623 0.0904
Plasmodium falciparum carbonic anhydrase 0.0425 0.1401 0.1576
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.0119 0.0112
Brugia malayi RNA binding protein 0.0202 0.0623 0.061
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0046 0.0074
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0095 0.0081
Onchocerca volvulus 0.0055 0.0108 0.0095
Schistosoma mansoni alpha glucosidase 0.0036 0.0042 0.0029
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0042 0.0042
Mycobacterium ulcerans purine nucleoside phosphorylase 0.2883 1 1
Leishmania major carbonic anhydrase family protein, putative 0.0961 0.3277 0.9219
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0067 0.0067
Echinococcus multilocularis uridine phosphorylase 1 0.0901 0.3068 0.3062
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0046 0.0038
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.0261 0.0248
Loa Loa (eye worm) hypothetical protein 0.0043 0.0067 0.0091
Echinococcus multilocularis purine nucleoside phosphorylase 0.1981 0.6847 0.6844
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.104 0.3554 1
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0123 0.0173
Loa Loa (eye worm) hypothetical protein 0.004 0.0054 0.0073
Brugia malayi RNA recognition motif domain containing protein 0.0202 0.0623 0.061
Toxoplasma gondii phosphorylase family protein 0.0901 0.3068 0.3477
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0038 0.0024
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0095 0.0081
Loa Loa (eye worm) uridine phosphorylase 0.0901 0.3068 0.4477
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0038 0.0046 0.0033
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0067 0.0053
Schistosoma mansoni carbonic anhydrase 0.0961 0.3277 0.3268
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0058 0.0116 0.0109
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0425 0.1401 0.1389
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.0261 0.0253
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.104 0.3554 0.5188
Mycobacterium ulcerans carbonic anhydrase 0.1293 0.4439 0.4402
Loa Loa (eye worm) hypothetical protein 0.0069 0.0156 0.0222
Schistosoma mansoni tar DNA-binding protein 0.0202 0.0623 0.061
Schistosoma mansoni thyroid hormone receptor 0.0157 0.0463 0.045
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0046 0.0046
Giardia lamblia UPL-1 0.0901 0.3068 0.3036
Loa Loa (eye worm) hypothetical protein 0.0028 0.0014 0.0013
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.0261 0.0253
Loa Loa (eye worm) hypothetical protein 0.0239 0.0749 0.1089
Mycobacterium ulcerans carbonic anhydrase 0.0961 0.3277 0.3232
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.0116 0.0109
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0028 0.0014 0.0013
Echinococcus multilocularis purine nucleoside phosphorylase 0.2883 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.0028 0.0014 0.0006
Onchocerca volvulus 0.0043 0.0067 0.0053
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0028 0.0014 0.0006
Leishmania major methylthioadenosine phosphorylase, putative 0.104 0.3554 1
Echinococcus multilocularis musashi 0.0055 0.0108 0.01
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0901 0.3068 0.3036
Echinococcus granulosus purine nucleoside phosphorylase 0.2883 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0008 0.0005
Brugia malayi Glycosyl hydrolases family 31 protein 0.0164 0.0489 0.0477
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.0489 0.0482
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.0014 0.0006
Mycobacterium leprae probable uridine phosphorylase 0.0901 0.3068 0.3021
Brugia malayi beta-lactamase 0.0043 0.0067 0.0053
Schistosoma mansoni methylthioadenosine phosphorylase 0.104 0.3554 0.3546
Trichomonas vaginalis conserved hypothetical protein 0.1293 0.4439 0.4439
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0067 0.0053
Onchocerca volvulus 0.0043 0.0067 0.0053
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0042 0.0029
Brugia malayi Bromodomain containing protein 0.0038 0.0046 0.0032
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0301 0.0969 0.0909
Schistosoma mansoni thyroid hormone receptor 0.0157 0.0463 0.045
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0123 0.0109
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0128 0.0363 0.0356
Brugia malayi Carboxylesterase family protein 0.0069 0.0156 0.0143
Loa Loa (eye worm) hypothetical protein 0.0028 0.0014 0.0013
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0901 0.3068 0.3068
Loa Loa (eye worm) hypothetical protein 0.0051 0.0095 0.0132
Loa Loa (eye worm) hypothetical protein 0.0038 0.0046 0.0061
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0095 0.0132
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0886 0.0825
Schistosoma mansoni hypothetical protein 0.0322 0.1042 0.1029
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0038 0.0046 0.013
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0067 0.0067
Onchocerca volvulus 0.0049 0.0085 0.0071
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.104 0.3554 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0156 0.0222
Echinococcus granulosus snurportin 1 0.0322 0.1042 0.1035
Echinococcus granulosus acetylcholinesterase 0.0069 0.0156 0.0148
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0901 0.3068 0.3068
Echinococcus granulosus carbonic anhydrase 0.0425 0.1401 0.1394
Schistosoma mansoni hypothetical protein 0.0035 0.0038 0.0024
Loa Loa (eye worm) TAR-binding protein 0.0202 0.0623 0.0904
Trypanosoma brucei uridine phosphorylase 0.0901 0.3068 0.8623
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.1981 0.6847 0.6844
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0038 0.0046 0.0053
Echinococcus granulosus lamin dm0 0.0055 0.0108 0.01
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1 0.3415 0.9608
Leishmania major hypothetical protein, conserved 0.0043 0.0067 0.0187
Loa Loa (eye worm) hypothetical protein 0.0043 0.0067 0.0091
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0425 0.1401 0.1389
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0046 0.0046
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1 0.3415 0.3406
Echinococcus multilocularis methylthioadenosine phosphorylase 0.104 0.3554 0.3549
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0042 0.0118
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0028 0.0014 0.0006
Brugia malayi uridine phosphorylase family protein 0.0901 0.3068 0.3058
Schistosoma mansoni hypothetical protein 0.1212 0.4154 0.4146
Schistosoma mansoni jumonji domain containing protein 0.0058 0.0116 0.0103
Brugia malayi Intermediate filament tail domain containing protein 0.0055 0.0108 0.0095
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0042 0.0118
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.2883 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0042 0.0042
Echinococcus multilocularis purine nucleoside phosphorylase 0.1981 0.6847 0.6844
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0067 0.0187
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0085 0.0071
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0046 0.0038
Mycobacterium tuberculosis Conserved hypothetical protein 0.0901 0.3068 0.3021
Echinococcus multilocularis carboxylesterase 5A 0.0069 0.0156 0.0148
Mycobacterium tuberculosis Probable 5'-methylthioadenosine phosphorylase Pnp (MTA phosphorylase) 0.0139 0.0401 0.0337
Trichomonas vaginalis conserved hypothetical protein 0.0901 0.3068 0.3068
Schistosoma mansoni carbonic anhydrase-related 0.0425 0.1401 0.1389
Mycobacterium ulcerans short chain dehydrogenase 0.0293 0.0939 0.0879
Toxoplasma gondii phosphorylase family protein 0.0901 0.3068 0.3477
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0901 0.3068 0.8631
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0425 0.1401 0.2041
Echinococcus multilocularis carbonic anhydrase II 0.1 0.3415 0.341
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.0119 0.0112
Loa Loa (eye worm) carbonic anhydrase 3 0.1 0.3415 0.4985
Schistosoma mansoni hypothetical protein 0.0049 0.0085 0.0071
Brugia malayi TAR-binding protein 0.0202 0.0623 0.061
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0046 0.013
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.2536 0.8786 1
Loa Loa (eye worm) steroid hormone receptor 0.0028 0.0014 0.0013
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0425 0.1401 0.2041
Schistosoma mansoni carbonic anhydrase-related 0.0425 0.1401 0.1389
Schistosoma mansoni purine nucleoside phosphorylase 0.2883 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1 0.3415 0.3406
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0028 0.0014 0.0006
Echinococcus granulosus acetylcholinesterase 0.0069 0.0156 0.0148
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0128 0.0363 0.0356
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0042 0.0042
Toxoplasma gondii hypothetical protein 0.0425 0.1401 0.1576
Schistosoma mansoni tar DNA-binding protein 0.0202 0.0623 0.061
Echinococcus granulosus methylthioadenosine phosphorylase 0.104 0.3554 0.3549
Echinococcus granulosus FTZ F1 alpha 0.0028 0.0014 0.0006
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0425 0.1401 0.1389
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0046 0.0038
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0028 0.0014 0.0013
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0129 0.0121
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0028 0.0014 0.0013
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0067 0.0059
Echinococcus granulosus lamin 0.0055 0.0108 0.01
Brugia malayi Carboxylesterase family protein 0.0069 0.0156 0.0143
Echinococcus multilocularis geminin 0.1212 0.4154 0.4149
Leishmania major nucleoside phosphorylase-like protein 0.0901 0.3068 0.8631
Schistosoma mansoni hypothetical protein 0.0128 0.0363 0.035
Schistosoma mansoni tar DNA-binding protein 0.0202 0.0623 0.061
Toxoplasma gondii ABC1 family protein 0.0043 0.0067 0.0053
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0042 0.0055
Schistosoma mansoni carbonic anhydrase-related 0.0425 0.1401 0.1389
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0067 0.0067
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0067 0.0091
Brugia malayi hypothetical protein 0.0239 0.0749 0.0737
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.0261 0.0248
Echinococcus granulosus lysine specific demethylase 5A 0.006 0.0123 0.0115
Onchocerca volvulus 0.0095 0.0247 0.0234
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0901 0.3068 0.3036
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.104 0.3554 1
Leishmania major carbonic anhydrase-like protein 0.1 0.3415 0.9608
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.003 0.0018 0.002
Loa Loa (eye worm) hypothetical protein 0.0028 0.0014 0.0013
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0028 0.0014 0.0006
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0901 0.3068 0.3021
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0055 0.0108 0.0152
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.0261 0.0248
Loa Loa (eye worm) hypothetical protein 0.0038 0.0046 0.0061
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0202 0.0623 0.0904
Brugia malayi beta-lactamase family protein 0.0043 0.0067 0.0053
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0901 0.3068 0.3068
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.2536 0.8786 0.8786
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.2536 0.8786 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.2883 1 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0108 0.0152
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0042 0.0042
Echinococcus granulosus purine nucleoside phosphorylase 0.2883 1 1
Schistosoma mansoni alpha-glucosidase 0.0141 0.0409 0.0396
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0129 0.0362
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0901 0.3068 0.3068
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0901 0.3068 0.3021
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0028 0.0014 0.0013
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.104 0.3554 0.3511
Echinococcus granulosus carbonic anhydrase 0.0425 0.1401 0.1394
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0069 0.0156 0.0143
Echinococcus granulosus carbonic anhydrase II 0.1 0.3415 0.341
Echinococcus multilocularis tar DNA binding protein 0.0202 0.0623 0.0616
Schistosoma mansoni methylthioadenosine phosphorylase 0.104 0.3554 0.3546
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0129 0.0063
Brugia malayi Importin beta-1 subunit 0.003 0.002 0.0006
Echinococcus multilocularis purine nucleoside phosphorylase 0.2883 1 1
Schistosoma mansoni carbonic anhydrase 0.0425 0.1401 0.1389
Echinococcus granulosus carboxylesterase 5A 0.0069 0.0156 0.0148
Loa Loa (eye worm) hypothetical protein 0.0043 0.0067 0.0091
Echinococcus multilocularis lamin 0.0055 0.0108 0.01
Loa Loa (eye worm) hypothetical protein 0.0069 0.0157 0.0223
Loa Loa (eye worm) carboxylesterase 0.0069 0.0156 0.0222
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0038 0.0046 0.0033
Brugia malayi MTAP 0.104 0.3554 0.3546
Plasmodium falciparum purine nucleoside phosphorylase 0.2536 0.8786 1
Schistosoma mansoni survival motor neuron protein 0.0049 0.0085 0.0071
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0901 0.3068 0.3492
Toxoplasma gondii Purine nucleoside phosphorylase 0.2536 0.8786 1
Echinococcus granulosus importin subunit beta 1 0.003 0.002 0.0012
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0067 0.0132
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0028 0.0014 0.0013
Echinococcus multilocularis carbonic anhydrase 0.0425 0.1401 0.1394
Schistosoma mansoni methylthioadenosine phosphorylase 0.0901 0.3068 0.3058
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0901 0.3068 0.3492
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0028 0.0014 0.0006
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.2883 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.0014 0.0006
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0901 0.3068 0.8631
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0901 0.3068 0.3492
Trichomonas vaginalis esterase, putative 0.0043 0.0067 0.0067
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0042 0.0118
Echinococcus multilocularis FTZ F1 alpha 0.0028 0.0014 0.0006
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0046 0.0038
Echinococcus multilocularis thyroid hormone receptor alpha 0.0157 0.0463 0.0455
Echinococcus multilocularis survival motor neuron protein 1 0.0239 0.0749 0.0742
Echinococcus multilocularis microtubule associated protein 2 0.0696 0.235 0.2344
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0517 0.1724 0.2514
Schistosoma mansoni hypothetical protein 0.0425 0.1401 0.1389
Echinococcus granulosus purine nucleoside phosphorylase 0.2883 1 1
Echinococcus multilocularis acetylcholinesterase 0.0069 0.0156 0.0148
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0042 0.0042
Entamoeba histolytica hypothetical protein 0.0901 0.3068 0.3492
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0067 0.0059
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0901 0.3068 0.3492
Echinococcus granulosus lysosomal alpha glucosidase 0.0164 0.0489 0.0482
Trypanosoma brucei carbonic anhydrase-like protein 0.1 0.3415 0.9605
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.2883 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0067 0.0053
Mycobacterium tuberculosis Probable oxidoreductase 0.0293 0.0939 0.0879
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0042 0.0042
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0028 0.0014 0.0013
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0042 0.0048
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0042 0.0025
Loa Loa (eye worm) hypothetical protein 0.0054 0.0104 0.0146
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0028 0.0014 0.0006
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.0014 0.0006
Loa Loa (eye worm) hypothetical protein 0.003 0.002 0.0023
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0038 0.0046 0.0033
Schistosoma mansoni hypothetical protein 0.1212 0.4154 0.4146
Brugia malayi cytoplasmic intermediate filament protein 0.003 0.0018 0.0005
Loa Loa (eye worm) hypothetical protein 0.0043 0.0067 0.0091
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.0123 0.0109
Loa Loa (eye worm) hypothetical protein 0.0028 0.0014 0.0013
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0067 0.0053
Loa Loa (eye worm) hypothetical protein 0.1981 0.6847 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0028 0.0014 0.0013
Schistosoma mansoni tar DNA-binding protein 0.0202 0.0623 0.061
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0129 0.0063
Schistosoma mansoni purine nucleoside phosphorylase 0.2883 1 1
Mycobacterium tuberculosis Hypothetical protein 0.0901 0.3068 0.3021
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0164 0.0489 0.0709
Plasmodium vivax purine nucleoside phosphorylase, putative 0.2536 0.8786 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1 0.3415 0.3406
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.2883 1 1
Chlamydia trachomatis AMP nucleosidase 0.0901 0.3068 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0042 0.0042
Loa Loa (eye worm) intermediate filament protein 0.0055 0.0108 0.0152
Echinococcus granulosus purine nucleoside phosphorylase 0.2883 1 1
Onchocerca volvulus 0.0503 0.1675 0.1663
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.2883 1 1
Echinococcus multilocularis acetylcholinesterase 0.0069 0.0156 0.0148
Loa Loa (eye worm) hypothetical protein 0.0028 0.0014 0.0013
Schistosoma mansoni alpha-glucosidase 0.0141 0.0409 0.0396
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0129 0.0115
Brugia malayi Bromodomain containing protein 0.0074 0.0172 0.0159
Echinococcus granulosus ubiquitin specific protease 41 0.0038 0.0046 0.0038
Echinococcus granulosus microtubule associated protein 2 0.0696 0.235 0.2344
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.066 0.2222 0.217
Echinococcus granulosus survival motor neuron protein 1 0.0239 0.0749 0.0742
Echinococcus multilocularis carbonic anhydrase 0.0425 0.1401 0.1394
Schistosoma mansoni uridine phosphorylase 0.0901 0.3068 0.3058
Brugia malayi Immunoglobulin I-set domain containing protein 0.0517 0.1724 0.1713
Echinococcus multilocularis lysine specific demethylase 5A 0.0058 0.0116 0.0109
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0038 0.003
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0028 0.0014 0.0006
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0901 0.3068 0.3068
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0042 0.0034
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0129 0.0121
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0046 0.0046
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.0261 0.0253
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0038 0.003
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0129 0.0063
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0322 0.1042 0.1516
Echinococcus multilocularis lamin dm0 0.0055 0.0108 0.01
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0425 0.1401 0.1389
Trypanosoma brucei glucosidase, putative 0.0036 0.0042 0.0062
Echinococcus granulosus purine nucleoside phosphorylase 0.2883 1 1
Brugia malayi beta-lactamase family protein 0.0043 0.0067 0.0053
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0129 0.0115
Echinococcus multilocularis importin subunit beta 1 0.003 0.002 0.0012
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1 0.3415 0.4985
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0028 0.0014 0.0006
Schistosoma mansoni microtubule-associated protein tau 0.0696 0.235 0.234
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0129 0.0124
Echinococcus granulosus purine nucleoside phosphorylase 0.2883 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0129 0.0063
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0046 0.013
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0035 0.0038 0.0049
Echinococcus multilocularis ubiquitin specific protease 41 0.0038 0.0046 0.0038
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.2536 0.8786 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0901 0.3068 0.8631
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0961 0.3277 0.3232
Treponema pallidum uridine phosphorylase (udp) 0.2536 0.8786 1
Echinococcus granulosus intermediate filament protein 0.0055 0.0108 0.01
Loa Loa (eye worm) hypothetical protein 0.0028 0.0014 0.0013
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0099 0.0261 0.0248
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.0014 0.0006
Entamoeba histolytica carbonic anhydrase, putative 0.0961 0.3277 0.3729
Brugia malayi intermediate filament protein 0.0055 0.0108 0.0095
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0042 0.0034
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.0489 0.0482
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.0261 0.0253
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1 0.3415 0.9608
Loa Loa (eye worm) acetylcholinesterase 1 0.0069 0.0156 0.0222
Schistosoma mansoni tar DNA-binding protein 0.0202 0.0623 0.061
Schistosoma mansoni importin beta-1 0.003 0.002 0.0006
Schistosoma mansoni lamin 0.0055 0.0108 0.0095
Trichomonas vaginalis conserved hypothetical protein 0.1293 0.4439 0.4439
Loa Loa (eye worm) hypothetical protein 0.0028 0.0014 0.0013
Brugia malayi jmjC domain containing protein 0.0058 0.0116 0.0103
Onchocerca volvulus 0.0055 0.0108 0.0095
Schistosoma mansoni intermediate filament proteins 0.0055 0.0108 0.0095
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0042 0.0042
Schistosoma mansoni bromodomain containing protein 0.0062 0.0132 0.0118
Echinococcus multilocularis ecdysone induced protein 78C 0.0028 0.0014 0.0006
Loa Loa (eye worm) hypothetical protein 0.0042 0.0061 0.0083
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.2536 0.8786 0.8786
Echinococcus granulosus uridine phosphorylase 1 0.0901 0.3068 0.3062
Echinococcus granulosus purine nucleoside phosphorylase 0.2883 1 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.0067 0.0091
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0099 0.0261 0.0375
Echinococcus granulosus carbonic anhydrase 0.0425 0.1401 0.1394
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0992 0.3384 0.334
Echinococcus granulosus geminin 0.1212 0.4154 0.4149
Loa Loa (eye worm) hypothetical protein 0.0425 0.1401 0.2041
Echinococcus multilocularis carbonic anhydrase 0.0425 0.1401 0.1394
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0028 0.0014 0.0013
Loa Loa (eye worm) hypothetical protein 0.0043 0.0067 0.0091
Echinococcus multilocularis purine nucleoside phosphorylase 0.2883 1 1
Brugia malayi jmjC domain containing protein 0.006 0.0123 0.0109
Echinococcus granulosus purine nucleoside phosphorylase 0.2883 1 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1 0.3415 0.3406
Trichomonas vaginalis conserved hypothetical protein 0.0901 0.3068 0.3068
Echinococcus multilocularis snurportin 1 0.0322 0.1042 0.1035
Schistosoma mansoni uridine phosphorylase 0.0901 0.3068 0.3058
Onchocerca volvulus 0.0043 0.0067 0.0053
Echinococcus multilocularis purine nucleoside phosphorylase 0.2883 1 1
Schistosoma mansoni lamin 0.0055 0.0108 0.0095

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 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) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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) 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) 89.1251 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

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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