Detailed information for compound 282603

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 956.099 | Formula: C44H69N13O11
  • H donors: 13 H acceptors: 12 LogP: -2.97 Rotable bonds: 35
    Rule of 5 violations (Lipinski): 4
  • SMILES: CNCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)O)CCO)Cc1c[nH]cn1)[C@H](CC)C)Cc1ccc(cc1)O)C(C)C)CCCN=C(N)N
  • InChi: 1S/C44H69N13O11/c1-6-25(4)36(41(65)54-32(20-27-21-48-23-50-27)42(66)57-17-8-10-33(57)39(63)52-30(15-18-58)43(67)68)56-38(62)31(19-26-11-13-28(59)14-12-26)53-40(64)35(24(2)3)55-37(61)29(51-34(60)22-47-5)9-7-16-49-44(45)46/h11-14,21,23-25,29-33,35-36,47,58-59H,6-10,15-20,22H2,1-5H3,(H,48,50)(H,51,60)(H,52,63)(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,67,68)(H4,45,46,49)/t25-,29-,30-,31-,32-,33+,35-,36-/m0/s1
  • InChiKey: YZBWOVIUFGWTST-MSZMFPQWSA-N  


Substructure search Similarity search

Network

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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 Angiotensin II receptor (AT-1) type-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
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus pyroglutamylated rfamide peptide receptor Angiotensin II receptor (AT-1) type-1   359 aa 366 aa 19.7 %
Onchocerca volvulus Angiotensin II receptor (AT-1) type-1   359 aa 305 aa 24.9 %
Brugia malayi GnHR receptor homolog Angiotensin II receptor (AT-1) type-1   359 aa 357 aa 20.4 %
Onchocerca volvulus Angiotensin II receptor (AT-1) type-1   359 aa 386 aa 24.4 %
Echinococcus multilocularis allatostatin A receptor Angiotensin II receptor (AT-1) type-1   359 aa 342 aa 26.6 %
Loa Loa (eye worm) neuropeptide F receptor Angiotensin II receptor (AT-1) type-1   359 aa 344 aa 23.5 %
Schistosoma mansoni peptide (allatostatin)-like receptor Angiotensin II receptor (AT-1) type-1   359 aa 323 aa 25.7 %
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor Angiotensin II receptor (AT-1) type-1   359 aa 365 aa 20.0 %
Loa Loa (eye worm) hypothetical protein Angiotensin II receptor (AT-1) type-1   359 aa 308 aa 27.6 %
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor Angiotensin II receptor (AT-1) type-1   359 aa 350 aa 23.1 %
Echinococcus multilocularis neuropeptide receptor Angiotensin II receptor (AT-1) type-1   359 aa 317 aa 24.9 %
Loa Loa (eye worm) hypothetical protein Angiotensin II receptor (AT-1) type-1   359 aa 329 aa 24.0 %
Echinococcus granulosus growth hormone secretagogue receptor type 1 Angiotensin II receptor (AT-1) type-1   359 aa 343 aa 23.0 %
Echinococcus granulosus thyrotropin releasing hormone receptor Angiotensin II receptor (AT-1) type-1   359 aa 363 aa 23.7 %
Onchocerca volvulus Angiotensin II receptor (AT-1) type-1   359 aa 350 aa 24.0 %
Onchocerca volvulus Angiotensin II receptor (AT-1) type-1   359 aa 314 aa 25.2 %
Schistosoma mansoni opsin-like receptor Angiotensin II receptor (AT-1) type-1   359 aa 299 aa 25.8 %
Echinococcus granulosus allatostatin A receptor Angiotensin II receptor (AT-1) type-1   359 aa 342 aa 27.2 %
Brugia malayi ORL1-like opioid receptor Angiotensin II receptor (AT-1) type-1   359 aa 314 aa 20.4 %
Echinococcus multilocularis G-protein coupled receptor, putative Angiotensin II receptor (AT-1) type-1   359 aa 307 aa 22.1 %
Onchocerca volvulus Angiotensin II receptor (AT-1) type-1   359 aa 292 aa 24.7 %
Echinococcus granulosus tm gpcr rhodopsin Angiotensin II receptor (AT-1) type-1   359 aa 300 aa 21.0 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Angiotensin II receptor (AT-1) type-1   359 aa 325 aa 20.9 %
Brugia malayi putative neuropeptide receptor NPR1 Angiotensin II receptor (AT-1) type-1   359 aa 295 aa 27.1 %
Onchocerca volvulus Angiotensin II receptor (AT-1) type-1   359 aa 309 aa 18.8 %
Onchocerca volvulus E3 ubiquitin-protein ligase rpm-1 homolog Angiotensin II receptor (AT-1) type-1   359 aa 354 aa 20.6 %
Onchocerca volvulus Angiotensin II receptor (AT-1) type-1   359 aa 355 aa 23.9 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Angiotensin II receptor (AT-1) type-1   359 aa 307 aa 24.1 %
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor Angiotensin II receptor (AT-1) type-1   359 aa 346 aa 18.2 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Angiotensin II receptor (AT-1) type-1   359 aa 363 aa 23.4 %
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily Angiotensin II receptor (AT-1) type-1   359 aa 300 aa 21.0 %
Echinococcus granulosus neuropeptide receptor Angiotensin II receptor (AT-1) type-1   359 aa 317 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Excitatory amino acid transporter homolog 0.1072 0.2797 1
Echinococcus granulosus GPCR family 3 C terminal 0.0481 0.1231 0.1224
Loa Loa (eye worm) hypothetical protein 0.0118 0.0269 0.0268
Schistosoma mansoni lamin 0.0054 0.0097 0.0109
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0899 0.2338 0.2338
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0106 0.0789
Schistosoma mansoni ap endonuclease 0.0055 0.0102 0.0114
Schistosoma mansoni tyrosine kinase 0.0418 0.1063 0.1195
Schistosoma mansoni multiple ankyrin repeats single kh domain protein 0.0088 0.0188 0.0212
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0286 0.0713 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0008 0.0008
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0132 0.0802
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.1041 0.2715 0.271
Schistosoma mansoni thyroid hormone receptor 0.002 0.0008 0.0008
Loa Loa (eye worm) RGC/RGC protein kinase 0.0418 0.1063 0.1062
Loa Loa (eye worm) hypothetical protein 0.002 0.0008 0.0007
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0057 0.0106 0.0099
Treponema pallidum exodeoxyribonuclease (exoA) 0.0055 0.0102 0.0499
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0106 0.0789
Schistosoma mansoni lipoxygenase 0.002 0.0008 0.0009
Brugia malayi PXA domain containing protein 0.0057 0.0106 0.0121
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0055 0.0102 0.0094
Loa Loa (eye worm) RGS-3 protein 0.0057 0.0106 0.0106
Trichomonas vaginalis set domain proteins, putative 0.0472 0.1206 1
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0286 0.0713 0.4976
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0024 0.0016
Loa Loa (eye worm) hypothetical protein 0.002 0.0008 0.0007
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0267 0.0664 0.0657
Schistosoma mansoni protein kinase 0.0418 0.1063 0.1195
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0271 0.0674 0.0667
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0418 0.1063 0.3782
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.002 0.0066
Chlamydia trachomatis neutral amino acid transporter 0.0475 0.1215 0.4274
Onchocerca volvulus 0.0054 0.0097 0.0322
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0008 0.0007
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0475 0.1215 0.1208
Schistosoma mansoni hypothetical protein 0.0481 0.1231 0.1384
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0055 0.0102 1
Brugia malayi phosphofructokinase 0.011 0.0246 0.0292
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.0132 0.0125
Schistosoma mansoni regulator of G protein signaling 0.0057 0.0106 0.0119
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0112 0.0126
Echinococcus granulosus neutral amino acid transporter A 0.1072 0.2797 0.2792
Schistosoma mansoni ATP-binding cassette transporter 0.0575 0.148 0.1664
Schistosoma mansoni hypothetical protein 0.002 0.0008 0.0009
Echinococcus multilocularis excitatory amino acid transporter 3 0.1072 0.2797 0.2792
Entamoeba histolytica hypothetical protein 0.0057 0.0106 0.0706
Brugia malayi hypothetical protein 0.0057 0.0106 0.0121
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.1406 0.3683 0.3679
Loa Loa (eye worm) intermediate filament protein 0.0054 0.0097 0.0097
Echinococcus multilocularis musashi 0.0054 0.0097 0.009
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0414 0.1054 0.1053
Entamoeba histolytica hypothetical protein 0.0057 0.0106 0.0706
Echinococcus multilocularis axis inhibition protein axin 0.0057 0.0106 0.0099
Echinococcus multilocularis lamin dm0 0.0054 0.0097 0.009
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0045 0.0075 0.2918
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.002 0.0066
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.1041 0.2715 0.271
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.097 0.2528 0.2522
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0055 0.0102 0.0662
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0116 0.0109
Onchocerca volvulus 0.002 0.0008 0.0001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0044 0.0272
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0044 0.0272
Mycobacterium ulcerans 6-phosphofructokinase 0.011 0.0246 0.2369
Echinococcus multilocularis excitatory amino acid transporter 2 0.1072 0.2797 0.2792
Loa Loa (eye worm) hypothetical protein 0.0418 0.1063 0.1062
Schistosoma mansoni ap endonuclease 0.0055 0.0102 0.0114
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.011 0.0246 0.5
Onchocerca volvulus 0.002 0.0008 0.0001
Echinococcus granulosus axis inhibition protein axin 0.0057 0.0106 0.0099
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0045 0.0075 0.0406
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0027 0.0124
Brugia malayi Pre-SET motif family protein 0.0414 0.1054 0.128
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.1072 0.2797 0.3146
Echinococcus granulosus regulator of G protein signaling 3 0.0057 0.0106 0.0099
Schistosoma mansoni coup transcription factor 0.002 0.0008 0.0008
Loa Loa (eye worm) cytochrome P450 family protein 0.007 0.0141 0.014
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0057 0.005
Loa Loa (eye worm) glutamate receptor 0.1166 0.3047 0.3047
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0684 0.177 0.1763
Echinococcus granulosus atrial natriuretic peptide receptor 0.0418 0.1063 0.1056
Loa Loa (eye worm) RGC/RGC protein kinase 0.0418 0.1063 0.1062
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0051 0.0324
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0899 0.2338 0.2338
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0034 0.018
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0418 0.1063 0.1062
Schistosoma mansoni hypothetical protein 0.0138 0.0321 0.0361
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.002 0.0066
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0057 0.0106 0.0106
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0034 0.018
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0008 0.0008
Echinococcus multilocularis NMDA receptor 0.0684 0.177 0.1763
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.0112 0.0105
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0034 0.2949
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0008 0.0007
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0112 0.0126
Brugia malayi hypothetical protein 0.0099 0.0218 0.0257
Loa Loa (eye worm) hypothetical protein 0.0418 0.1063 0.1062
Loa Loa (eye worm) hypothetical protein 0.0099 0.0218 0.0217
Brugia malayi regulator of G-protein signaling egl-10 0.0057 0.0106 0.0121
Schistosoma mansoni z-protein (S1r protein) 0.0057 0.0106 0.0119
Echinococcus granulosus glutamate receptor subunit protein glur 0.0319 0.0802 0.0795
Echinococcus granulosus lamin dm0 0.0054 0.0097 0.009
Trichomonas vaginalis 6-phosphofructokinase, putative 0.003 0.0034 0.018
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0256 0.0635 0.0714
Loa Loa (eye worm) hypothetical protein 0.0025 0.0021 0.002
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0129 0.0298 0.0335
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.011 0.0246 0.1934
Echinococcus multilocularis beta adrenergic receptor kinase 0.0057 0.0106 0.0099
Echinococcus granulosus neutral amino acid transporter 0.1072 0.2797 0.2792
Echinococcus multilocularis Ankyrin repeat domain containing protein 0.0088 0.0188 0.0181
Brugia malayi hypothetical protein 0.0057 0.0106 0.0121
Loa Loa (eye worm) hypothetical protein 0.0057 0.0106 0.0106
Loa Loa (eye worm) hypothetical protein 0.002 0.0008 0.0007
Schistosoma mansoni glutamate receptor kainate 0.0575 0.148 0.1664
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0055 0.0102 0.0503
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0057 0.0106 0.0789
Loa Loa (eye worm) hypothetical protein 0.0025 0.0021 0.002
Schistosoma mansoni rab6-interacting 0.002 0.0008 0.0009
Loa Loa (eye worm) phosphofructokinase 0.011 0.0246 0.0246
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0112 0.0126
Echinococcus multilocularis regulator of G protein signaling 3 0.0057 0.0106 0.0099
Schistosoma mansoni lipoxygenase 0.0056 0.0103 0.0116
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0055 0.0102 0.0503
Onchocerca volvulus 0.0418 0.1063 0.3782
Entamoeba histolytica phosphofructokinase, putative 0.011 0.0246 0.2069
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0045 0.0075 0.0243
Schistosoma mansoni serine-rich repeat protein 0.0138 0.0321 0.0361
Echinococcus multilocularis nmda type glutamate receptor 0.0418 0.1063 0.1056
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0319 0.0802 0.0795
Brugia malayi M-phase phosphoprotein, mpp8 0.0099 0.0218 0.0257
Schistosoma mansoni serine/threonine protein kinase 0.0057 0.0106 0.0119
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0057 0.0106 0.0119
Brugia malayi metabotropic glutamate receptor type 2 0.1583 0.4155 0.5072
Echinococcus granulosus receptor type guanylyl cyclase 0.0418 0.1063 0.1056
Echinococcus granulosus regulator of G protein signaling 7 0.0057 0.0106 0.0099
Loa Loa (eye worm) hypothetical protein 0.002 0.0008 0.0007
Trichomonas vaginalis ap endonuclease, putative 0.0055 0.0102 0.0751
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0034 0.2473
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0008 0.0008
Echinococcus multilocularis nmda type glutamate receptor 0.0557 0.1432 0.1426
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0031 0.0031
Loa Loa (eye worm) RecQ helicase 0.0022 0.0012 0.0012
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0012 0.0006
Echinococcus granulosus beta-adrenergic receptor kinase 0.0057 0.0106 0.0099
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0116 0.0232
Echinococcus granulosus glutamate receptor 2 0.1041 0.2715 0.271
Echinococcus multilocularis axis inhibition protein axin 0.0057 0.0106 0.0099
Loa Loa (eye worm) hypothetical protein 0.0048 0.0082 0.0082
Brugia malayi hypothetical protein 0.0119 0.0271 0.0322
Brugia malayi Receptor family ligand binding region containing protein 0.0418 0.1063 0.129
Treponema pallidum methyl-accepting chemotaxis protein (mcp2-1) 0.0544 0.1399 1
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0008 0.0269
Schistosoma mansoni regulator of G protein signaling 0.0057 0.0106 0.0119
Echinococcus granulosus voltage dependent calcium channel subunit 0.0588 0.1514 0.1508
Loa Loa (eye worm) hypothetical protein 0.3787 1 1
Toxoplasma gondii exonuclease III APE 0.0055 0.0102 0.8275
Echinococcus multilocularis Excitatory amino acid transporter 0.1072 0.2797 0.2792
Brugia malayi regulator of G-protein signaling rgs-7 0.0057 0.0106 0.0121
Loa Loa (eye worm) hypothetical protein 0.002 0.0008 0.0007
Loa Loa (eye worm) hypothetical protein 0.002 0.0008 0.0007
Loa Loa (eye worm) hypothetical protein 0.0099 0.0218 0.0217
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0008 0.0008
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0056 0.0103 0.0096
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0034 0.018
Loa Loa (eye worm) PXA domain-containing protein 0.0057 0.0106 0.0106
Giardia lamblia GTOR 0.0045 0.0075 0.6134
Loa Loa (eye worm) glutamate receptor 0.3102 0.8184 0.8184
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0051 0.0324
Echinococcus multilocularis 6 phosphofructokinase 0.011 0.0246 0.0239
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0033 0.0176
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.3369 0.8892 1
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0418 0.1063 0.1056
Schistosoma mansoni glutamate receptor kainate 0.0988 0.2575 0.2896
Schistosoma mansoni serine/threonine protein kinase 0.0057 0.0106 0.0119
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0008 0.0008
Echinococcus multilocularis geminin 0.0171 0.041 0.0402
Brugia malayi Glutamate receptor 1 precursor 0.0623 0.1608 0.1957
Loa Loa (eye worm) hypothetical protein 0.0059 0.0112 0.0112
Entamoeba histolytica phosphofructokinase, putative 0.011 0.0246 0.2069
Schistosoma mansoni hypothetical protein 0.0171 0.041 0.0461
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0055 0.0102 0.0503
Onchocerca volvulus 0.0071 0.0142 0.0482
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.002 0.0065
Schistosoma mansoni 6-phosphofructokinase 0.011 0.0246 0.0277
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0036 0.0198
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0051 0.0324
Leishmania major extracellular receptor, putative 0.0418 0.1063 1
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0588 0.1514 0.1508
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0059 0.0112 0.0105
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0027 0.0124
Echinococcus multilocularis Excitatory amino acid transporter 0.1072 0.2797 0.2792
Echinococcus multilocularis neutral amino acid transporter A 0.1072 0.2797 0.2792
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0008 0.0007
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0286 0.0713 0.2267
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.011 0.0246 0.0537
Loa Loa (eye worm) hypothetical protein 0.002 0.0008 0.0007
Brugia malayi 6-phosphofructokinase 0.011 0.0246 0.0292
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0116 0.0232
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0036 0.0051 0.1901
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0132 0.5259
Echinococcus granulosus regulator of G protein signaling 3 0.0057 0.0106 0.0099
Trichomonas vaginalis ap endonuclease, putative 0.0055 0.0102 0.0751
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.011 0.0246 0.1559
Schistosoma mansoni hypothetical protein 0.0271 0.0674 0.0758
Echinococcus granulosus excitatory amino acid transporter 2 0.1072 0.2797 0.2792
Loa Loa (eye worm) hypothetical protein 0.0057 0.0106 0.0106
Loa Loa (eye worm) hypothetical protein 0.0418 0.1063 0.1062
Brugia malayi PXA domain containing protein 0.0057 0.0106 0.0121
Brugia malayi A-kinase anchor protein 10, precursor 0.0057 0.0106 0.0121
Echinococcus multilocularis sodium:dicarboxylate symporter 0.1072 0.2797 0.2792
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.0246 0.1964
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0008 0.0007
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0045 0.0075 0.0068
Schistosoma mansoni lamin 0.0054 0.0097 0.0109
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0051 0.0324
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0008 0.0008
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0056 0.0103 0.0096
Onchocerca volvulus 0.0099 0.0218 0.0754
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0116 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0027 0.0124
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0055 0.0102 0.0094
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0475 0.1215 0.1208
Plasmodium vivax SET domain protein, putative 0.0059 0.0112 1
Trypanosoma cruzi extracellular receptor, putative 0.0418 0.1063 1
Echinococcus granulosus voltage dependent calcium channel subunit 0.0267 0.0664 0.0657
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0022 0.0012 0.0287
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0418 0.1063 0.129
Schistosoma mansoni nuclear hormone receptor 0.002 0.0008 0.0008
Brugia malayi hypothetical protein 0.0418 0.1063 0.129
Echinococcus granulosus Regulator of G protein signaling 20 0.0057 0.0106 0.0099
Treponema pallidum glutamate transporter 0.0475 0.1215 0.865
Echinococcus granulosus nmda type glutamate receptor 0.0418 0.1063 0.1056
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.0132 0.0152
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.1406 0.3683 0.3679
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0024 0.0016
Loa Loa (eye worm) RGC/RGC protein kinase 0.0418 0.1063 0.1062
Schistosoma mansoni multiple ankyrin repeats single kh domain protein 0.0088 0.0188 0.0212
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0034 0.018
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0116 0.0053
Echinococcus granulosus 6 phosphofructokinase 0.011 0.0246 0.0239
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0051 0.0324
Echinococcus granulosus excitatory amino acid transporter 2 0.1072 0.2797 0.2792
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0055 0.0102 0.0101
Echinococcus multilocularis lamin 0.0054 0.0097 0.009
Schistosoma mansoni axis inhibition protein axin 0.0057 0.0106 0.0119
Chlamydia trachomatis glutamate symporter 0.1072 0.2797 1
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0012 0.0005
Schistosoma mansoni glutamate receptor AMPA 0.0575 0.148 0.1664
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.002 0.0065
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0475 0.1215 0.1366
Loa Loa (eye worm) hypothetical protein 0.0418 0.1063 0.1062
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0116 0.0109
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0055 0.0102 0.4009
Schistosoma mansoni loxhd1 0.002 0.0008 0.0009
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0116 0.013
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.1406 0.3683 0.3679
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0026 0.0118
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0075 0.0531
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0116 0.013
Schistosoma mansoni rab6-interacting 0.002 0.0008 0.0009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0044 0.0272
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0684 0.177 0.1763
Loa Loa (eye worm) hypothetical protein 0.002 0.0008 0.0007
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0286 0.0713 0.2458
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0057 0.0106 0.0106
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0116 0.0232
Loa Loa (eye worm) hypothetical protein 0.0053 0.0095 0.0094
Loa Loa (eye worm) hypothetical protein 0.0057 0.0106 0.0106
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.0097 0.0097
Echinococcus granulosus expressed protein 0.1112 0.2904 0.2898
Loa Loa (eye worm) hypothetical protein 0.0311 0.0779 0.0778
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0057 0.005
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0132 0.0802
Loa Loa (eye worm) hypothetical protein 0.0481 0.1231 0.123
Echinococcus granulosus Excitatory amino acid transporter 0.1072 0.2797 0.2792
Echinococcus multilocularis Regulator of G protein signaling 20 0.0057 0.0106 0.0099
Echinococcus multilocularis regulator of G protein signaling 0.0057 0.0106 0.0099
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0059 0.0112 0.9574
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0075 0.0531
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0008 0.0008
Schistosoma mansoni intermediate filament proteins 0.0054 0.0097 0.0109
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0106 0.0789
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.003 0.0034 0.2949
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.0246 0.0246
Schistosoma mansoni 6-phosphofructokinase 0.011 0.0246 0.0277
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0071 0.0142 0.016
Echinococcus granulosus glutamate receptor 2 0.077 0.1996 0.199
Echinococcus multilocularis neutral amino acid transporter A 0.1072 0.2797 0.2792
Schistosoma mansoni regulator of G protein signaling 0.0057 0.0106 0.0119
Echinococcus granulosus glutamate receptor 1 0.0048 0.0082 0.0075
Echinococcus granulosus lamin 0.0054 0.0097 0.009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0058 0.0383
Loa Loa (eye worm) hypothetical protein 0.0057 0.0106 0.0106
Brugia malayi Glutamate receptor 2 precursor 0.0623 0.1608 0.1957
Brugia malayi 6-phosphofructokinase 0.011 0.0246 0.0292
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0045 0.0075 0.0243
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0057 0.0106 0.0119
Entamoeba histolytica phosphofructokinase, putative 0.011 0.0246 0.2069
Schistosoma mansoni metabotropic glutamate receptor 0.1583 0.4155 0.4672
Schistosoma mansoni regulator of G protein signaling 0.0057 0.0106 0.0119
Chlamydia trachomatis glutamine binding protein 0.0286 0.0713 0.2458
Echinococcus multilocularis GPCR, family 3, C terminal 0.0481 0.1231 0.1224
Echinococcus granulosus glutamate NMDA receptor subunit 0.0575 0.148 0.1474
Echinococcus multilocularis regulator of G protein signaling 7 0.0057 0.0106 0.0099
Brugia malayi Pre-SET motif family protein 0.0059 0.0112 0.0128
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.2685 0.7076 0.8645
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0034 0.018
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0057 0.0106 0.0119
Brugia malayi Receptor family ligand binding region containing protein 0.0899 0.2338 0.2851
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.1406 0.3683 0.3679
Loa Loa (eye worm) hypothetical protein 0.0418 0.1063 0.1062
Schistosoma mansoni tyrosine kinase 0.0418 0.1063 0.1195
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0075 0.0083
Leishmania major ATP-dependent phosphofructokinase 0.011 0.0246 0.1934
Echinococcus multilocularis receptor type guanylyl cyclase 0.0418 0.1063 0.1056
Schistosoma mansoni serine/threonine protein kinase 0.0057 0.0106 0.0119
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.1072 0.2797 0.2792
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.1072 0.2797 1
Loa Loa (eye worm) glutamate receptor 1 0.0623 0.1608 0.1607
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.002 0.0065
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0031 0.0029
Echinococcus multilocularis expressed protein 0.1112 0.2904 0.2898
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0026 0.0118
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0008 0.0007
Onchocerca volvulus 0.0418 0.1063 0.3782
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.0132 0.0125
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.011 0.0246 1
Brugia malayi exodeoxyribonuclease III family protein 0.0055 0.0102 0.0115
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0106 0.0789
Echinococcus granulosus metabotropic glutamate receptor 2 0.2621 0.6908 0.6906
Echinococcus multilocularis neutral amino acid transporter A 0.1072 0.2797 0.2792
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.0246 0.1964
Echinococcus granulosus regulator of G protein signaling 7 0.0057 0.0106 0.0099
Onchocerca volvulus 0.0099 0.0218 0.0754
Echinococcus granulosus nmda type glutamate receptor 0.0557 0.1432 0.1426
Brugia malayi Regulator of G protein signaling domain containing protein 0.0057 0.0106 0.0121
Loa Loa (eye worm) excitatory amino acid transporter 0.1072 0.2797 0.2797
Onchocerca volvulus 0.0472 0.1206 0.4295
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0106 0.0789
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0045 0.0075 0.0085
Echinococcus multilocularis glutamate receptor 2 0.077 0.1996 0.199
Schistosoma mansoni glutamate receptor kainate 0.0988 0.2575 0.2896
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0045 0.0075 0.0068
Toxoplasma gondii target of rapamycin (TOR), putative 0.0034 0.0044 0.1323
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.002 0.0066
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0057 0.0107 0.0099
Brugia malayi Regulator of G protein signaling domain containing protein 0.0057 0.0106 0.0121
Loa Loa (eye worm) hypothetical protein 0.0048 0.0082 0.0082
Echinococcus granulosus Excitatory amino acid transporter 0.1072 0.2797 0.2792
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0008 0.0007
Schistosoma mansoni polycystin 1-related 0.002 0.0008 0.0009
Loa Loa (eye worm) hypothetical protein 0.0418 0.1063 0.1062
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0075 0.0531
Echinococcus multilocularis excitatory amino acid transporter 2 0.1072 0.2797 0.2792
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.1072 0.2797 1
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0106 0.0789
Brugia malayi Cytochrome P450 family protein 0.007 0.0141 0.0163
Plasmodium vivax 6-phosphofructokinase, putative 0.003 0.0034 0.2473
Trichomonas vaginalis phosphofructokinase, putative 0.003 0.0034 0.018
Onchocerca volvulus Poor gastrulation protein homolog 0.0481 0.1231 0.4384
Echinococcus multilocularis regulator of G protein signaling 7 0.0057 0.0106 0.0099
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0008 0.0007
Schistosoma mansoni metabotropic glutamate receptor 0.2621 0.6908 0.7769
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0067 0.0132 0.0956
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0057 0.0106 0.0121
Loa Loa (eye worm) hypothetical protein 0.0057 0.0106 0.0106
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.0132 0.0131
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0286 0.0713 0.4976
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.0132 0.0148
Schistosoma mansoni glutamate receptor NMDA 0.0993 0.2588 0.291
Loa Loa (eye worm) hypothetical protein 0.0418 0.1063 0.1062
Schistosoma mansoni glutamate receptor NMDA 0.0575 0.148 0.1664
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0044 0.0272
Brugia malayi Cache domain containing protein 0.0118 0.0269 0.032
Loa Loa (eye worm) hypothetical protein 0.0048 0.0082 0.0082
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.0132 0.0802
Echinococcus multilocularis glutamate receptor 2 0.1041 0.2715 0.271
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0684 0.177 0.1763
Loa Loa (eye worm) hypothetical protein 0.0057 0.0106 0.0106
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0008 0.0007
Echinococcus multilocularis metabotropic glutamate receptor 2 0.2621 0.6908 0.6906
Schistosoma mansoni thyroid hormone receptor 0.002 0.0008 0.0008
Echinococcus multilocularis glutamate receptor 2 0.0623 0.1608 0.1601
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0044 0.0272
Onchocerca volvulus 0.0054 0.0097 0.0322
Loa Loa (eye worm) doublecortin family protein 0.002 0.0008 0.0007
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0271 0.0674 0.0667
Treponema pallidum glutamate/aspartate transporter 0.0475 0.1215 0.865
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.1406 0.3683 0.3679
Echinococcus granulosus Ankyrin repeat domain containing protein 0.0088 0.0188 0.0181
Echinococcus granulosus intermediate filament protein 0.0054 0.0097 0.009
Echinococcus multilocularis tyrosine kinase 0.0418 0.1063 0.1056
Echinococcus granulosus bloom syndrome protein 0.0022 0.0012 0.0005
Entamoeba histolytica hypothetical protein 0.0418 0.1063 1
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.0246 0.1964
Echinococcus granulosus tyrosine kinase 0.0418 0.1063 0.1056
Schistosoma mansoni regulator of G protein signaling 0.0057 0.0106 0.0119
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0044 0.0272
Brugia malayi intermediate filament protein 0.0054 0.0097 0.011
Echinococcus granulosus axis inhibition protein axin 0.0057 0.0106 0.0099
Brugia malayi Guanylyl cyclase protein 23 0.0418 0.1063 0.129
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.0246 0.1964
Echinococcus granulosus geminin 0.0171 0.041 0.0402
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0057 0.0106 0.0099
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0045 0.0075 0.0243
Echinococcus multilocularis metabotropic glutamate receptor 5 0.3787 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0008 0.0008
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0045 0.0075 0.0406
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0475 0.1215 0.1366
Loa Loa (eye worm) hypothetical protein 0.0026 0.0024 0.0023
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0481 0.1231 0.1496
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0575 0.148 0.1474
Loa Loa (eye worm) glutamate receptor 2 0.0575 0.148 0.148
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.0246 0.0246
Loa Loa (eye worm) hypothetical protein 0.002 0.0008 0.0007
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0481 0.1231 0.4384
Brugia malayi Excitatory amino acid transporter 0.1072 0.2797 0.3412
Echinococcus multilocularis regulator of G protein signaling 3 0.0057 0.0106 0.0099
Loa Loa (eye worm) hypothetical protein 0.0054 0.0097 0.0097
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.1406 0.3683 0.3679
Loa Loa (eye worm) hypothetical protein 0.0899 0.2338 0.2338
Schistosoma mansoni glutamate receptor AMPA 0.0575 0.148 0.1664
Echinococcus granulosus sodium:dicarboxylate symporter 0.1072 0.2797 0.2792
Entamoeba histolytica hypothetical protein 0.0057 0.0106 0.0706
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0044 0.0272
Echinococcus granulosus histone lysine methyltransferase setb 0.0059 0.0112 0.0105
Schistosoma mansoni axis inhibition protein axin 0.0057 0.0106 0.0119
Brugia malayi Metabotropic glutamate receptor precursor. 0.3102 0.8184 1
Schistosoma mansoni hypothetical protein 0.0171 0.041 0.0461
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0116 0.0644
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0045 0.0075 0.0243
Echinococcus granulosus excitatory amino acid transporter 3 0.1072 0.2797 0.2792
Echinococcus granulosus glutamate receptor 4 0.0048 0.0082 0.0075
Echinococcus multilocularis glutamate receptor 4 0.0048 0.0082 0.0075
Echinococcus granulosus neutral amino acid transporter A 0.1072 0.2797 0.2792
Loa Loa (eye worm) hypothetical protein 0.002 0.0008 0.0007
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0055 0.0102 0.8979
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0055 0.0102 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0008 0.0008
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0045 0.0075 0.2918
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.0075 0.0075
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0057 0.0106 0.0106
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.0097 0.011

Activities

Activity type Activity value Assay description Source Reference
Kd (functional) = 7.8 Antagonistic activity against Angiotensin II receptor type 1 in rat uterus ChEMBL. 10782679
pA2 (functional) = 7.8 Antagonistic activity against Angiotensin II receptor type 1 in rat uterus ChEMBL. 10782679

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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