Detailed information for compound 401751

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1183.91 | Formula: C58H44Cl2N6O18
  • H donors: 14 H acceptors: 15 LogP: 4.76 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 4
  • SMILES: Oc1cc2cc(c1)[C@@H]1NC(=O)[C@@H](NC(=O)Cc3cc(O2)c(O)cc3)Cc2ccc(c(c2)Cl)Oc2cc3[C@@H](NC1=O)C(=O)N[C@@H]1C(=O)N[C@H](C(=O)N[C@H](c4c(c5cc1ccc5O)c(O)cc(c4)O)C(=O)O)[C@H](O)c1ccc(Oc(c3)c2O)c(Cl)c1
  • InChi: 1S/C58H44Cl2N6O18/c59-33-9-22-2-7-39(33)83-42-17-27-18-43(52(42)74)84-40-8-4-25(16-34(40)60)51(73)50-57(79)65-49(58(80)81)32-20-29(68)21-38(71)45(32)31-15-24(3-6-36(31)69)46(54(76)66-50)63-56(78)48(27)64-55(77)47-26-13-28(67)19-30(14-26)82-41-11-23(1-5-37(41)70)12-44(72)61-35(10-22)53(75)62-47/h1-9,11,13-21,35,46-51,67-71,73-74H,10,12H2,(H,61,72)(H,62,75)(H,63,78)(H,64,77)(H,65,79)(H,66,76)(H,80,81)/t35-,46-,47+,48-,49-,50+,51-/m1/s1
  • InChiKey: JMAFVLNYQQMHTO-FUTLADNFSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

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
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.046 0.0908
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0371 0.0371
Brugia malayi prolyl oligopeptidase family protein 0.0388 0.5067 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.016 0.0315
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0033 0.0191 0.0377
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.0857 0.0857
Loa Loa (eye worm) hypothetical protein 0.0031 0.016 0.0315
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0031 0.016 0.6077
Echinococcus multilocularis acylamino acid releasing enzyme 0.0031 0.016 0.016
Echinococcus multilocularis prolyl endopeptidase 0.0031 0.016 0.016
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0216 0.0216
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0591 0.0591
Brugia malayi metabotropic glutamate receptor type 2 0.0099 0.1099 0.217
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0591 0.0591
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0027 0.0027
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0046 0.0372 0.0372
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0371 0.0371
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0372 0.0372
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0232 0.2931 0.5784
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.013 0.0691
Onchocerca volvulus 0.0047 0.0387 0.0764
Giardia lamblia Alanyl dipeptidyl peptidase 0.0031 0.016 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0371 0.0733
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.2923 0.2923
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.2574 0.5081
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0591 0.0591
Brugia malayi Cytochrome P450 family protein 0.0022 0.0046 0.009
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0036 0.0229 1
Schistosoma mansoni inositol monophosphatase 0.004 0.0287 0.0287
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.046 0.046
Schistosoma mansoni survival motor neuron protein 0.0047 0.0387 0.0387
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.046 0.046
Toxoplasma gondii prolyl endopeptidase 0.0031 0.016 0.0886
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0368 0.4788 1
Trypanosoma brucei prolyl endopeptidase 0.0031 0.016 0.0886
Echinococcus granulosus Dipeptidyl peptidase 9 0.013 0.1529 0.1529
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0031 0.016 0.016
Loa Loa (eye worm) hypothetical protein 0.0041 0.0305 0.0602
Loa Loa (eye worm) glutamate receptor 0.008 0.0837 0.1651
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0388 0.5067 0.5067
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0144 0.0783
Loa Loa (eye worm) hypothetical protein 0.0039 0.028 0.0552
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0251 0.319 0.319
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0144 0.0144
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0368 0.4788 1
Onchocerca volvulus 0.0235 0.2966 0.5855
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0031 0.016 0.016
Loa Loa (eye worm) hypothetical protein 0.0069 0.0679 0.134
Loa Loa (eye worm) hypothetical protein 0.0037 0.0248 0.049
Trypanosoma brucei oligopeptidase b 0.0031 0.016 0.0886
Echinococcus multilocularis microtubule associated protein 2 0.0747 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0372 0.0735
Entamoeba histolytica hypothetical protein 0.0023 0.0052 0.1328
Schistosoma mansoni importin beta-1 0.0029 0.013 0.013
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0052 0.0342
Echinococcus granulosus snurportin 1 0.0305 0.3934 0.3934
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0346 0.0346
Brugia malayi prolyl oligopeptidase family protein 0.0031 0.016 0.0315
Entamoeba histolytica fatty acid elongase, putative 0.0048 0.0393 1
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0052 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0346 0.0346
Entamoeba histolytica hypothetical protein, conserved 0.0031 0.016 0.406
Plasmodium vivax importin-beta 2, putative 0.0029 0.013 0.0218
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0346 0.0683
Loa Loa (eye worm) hypothetical protein 0.0232 0.2923 0.5769
Entamoeba histolytica fatty acid elongase, putative 0.0048 0.0393 1
Echinococcus multilocularis polycomb protein SCMH1 0.0046 0.0372 0.0372
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0031 0.016 0.016
Echinococcus multilocularis snurportin 1 0.0305 0.3934 0.3934
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0346 0.0683
Brugia malayi RNA, U transporter 1 0.0081 0.0855 0.1688
Leishmania major hypothetical protein, conserved 0.0091 0.0991 0.6481
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0056 0.0366
Schistosoma mansoni hypothetical protein 0.0047 0.0387 0.0387
Echinococcus granulosus GPCR family 3 C terminal 0.0033 0.0191 0.0191
Brugia malayi mbt repeat family protein 0.0046 0.0372 0.0735
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0031 0.016 0.0227
Brugia malayi hypothetical protein 0.0232 0.2923 0.5769
Schistosoma mansoni ran 0.0021 0.0027 0.0027
Echinococcus granulosus prolyl endopeptidase 0.0031 0.016 0.016
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0037 0.0037
Trichomonas vaginalis set domain proteins, putative 0.0235 0.2966 1
Brugia malayi prolyl oligopeptidase family protein 0.0031 0.016 0.0315
Loa Loa (eye worm) prolyl oligopeptidase 0.0031 0.016 0.0315
Toxoplasma gondii hypothetical protein 0.0031 0.016 0.0886
Brugia malayi hypothetical protein 0.01 0.1107 0.2184
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0368 0.4788 1
Brugia malayi Bromodomain containing protein 0.0073 0.0736 0.1452
Mycobacterium tuberculosis Probable peptidase 0.0031 0.016 0.0227
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0056 0.01
Loa Loa (eye worm) RNA binding protein 0.0062 0.0591 0.1166
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.004 0.0287 0.173
Echinococcus multilocularis Dipeptidyl peptidase 9 0.013 0.1529 0.1529
Entamoeba histolytica prolyl oligopeptidase family protein 0.0031 0.016 0.406
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.016 0.1044
Echinococcus granulosus histone lysine methyltransferase setb 0.0046 0.0371 0.0371
Schistosoma mansoni hypothetical protein 0.0168 0.2047 0.2047
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0037 0.0037
Echinococcus multilocularis GPCR, family 3, C terminal 0.0033 0.0191 0.0191
Echinococcus multilocularis metabotropic glutamate receptor 5 0.025 0.3178 0.3178
Schistosoma mansoni hypothetical protein 0.002 0.0012 0.0012
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0031 0.016 0.016
Loa Loa (eye worm) hypothetical protein 0.0033 0.0191 0.0377
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0532 0.0532
Loa Loa (eye worm) hypothetical protein 0.0029 0.013 0.0257
Entamoeba histolytica myo-inositol monophosphatase, putative 0.004 0.0287 0.7287
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0346 0.0346
Onchocerca volvulus Prolyl endopeptidase homolog 0.0031 0.016 0.0315
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.046 0.046
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0368 0.4788 1
Trypanosoma cruzi oligopeptidase b 0.0031 0.016 0.1044
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0036 0.0229 0.0373
Schistosoma mansoni inositol monophosphatase 0.004 0.0287 0.0287
Schistosoma mansoni hypothetical protein 0.0168 0.2047 0.2047
Brugia malayi prolyl oligopeptidase family protein 0.013 0.1529 0.3018
Leishmania major GTP-binding protein, putative 0.0021 0.0027 0.0173
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0388 0.5067 0.5067
Schistosoma mansoni hypothetical protein 0.0281 0.3598 0.3598
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0591 0.1166
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0052 0.0454 0.0895
Echinococcus granulosus inositol monophosphatase 1 0.004 0.0287 0.0287
Entamoeba histolytica hypothetical protein 0.0023 0.0056 0.1423
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0031 0.016 0.0886
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0184 0.2269 0.4479
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0287 0.0884
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0056 0.01
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0031 0.016 0.0453
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0231 0.2915 0.2915
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.046 0.046
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0052 0.0054
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0216 0.0216
Onchocerca volvulus Poor gastrulation protein homolog 0.0033 0.0191 0.0377
Schistosoma mansoni metabotropic glutamate receptor 0.0099 0.1099 0.1099
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0031 0.016 0.0227
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0591 0.1166
Loa Loa (eye worm) inositol-1 0.004 0.0287 0.0565
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0046 0.009
Brugia malayi follicle stimulating hormone receptor 0.0232 0.2931 0.5784
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0.0372 0.0735
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.013 0.1529 1
Schistosoma mansoni bromodomain containing protein 0.0061 0.058 0.058
Plasmodium falciparum importin beta, putative 0.0029 0.013 0.0218
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0388 0.5067 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0031 0.016 0.406
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0591 0.0591
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0037 0.0037
Trypanosoma cruzi hypothetical protein, conserved 0.0088 0.0945 0.6179
Echinococcus granulosus metabotropic glutamate receptor 2 0.017 0.2078 0.2078
Entamoeba histolytica Ran family GTPase 0.0021 0.0027 0.0674
Loa Loa (eye worm) MBCTL1 0.0053 0.046 0.0908
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.013 0.1529 1
Entamoeba histolytica fatty acid elongase, putative 0.0048 0.0393 1
Onchocerca volvulus 0.0082 0.0857 0.1692
Leishmania major importin beta-1 subunit, putative 0.0023 0.0056 0.0366
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.004 0.0287 0.0495
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0182 0.224 0.224
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0033 0.0191 0.0377
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0368 0.4788 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0027 0.0052
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.013 0.1529 1
Loa Loa (eye worm) mbt repeat family protein 0.0046 0.0372 0.0735
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0287 0.173
Leishmania major oligopeptidase b 0.0031 0.016 0.1044
Brugia malayi Bromodomain containing protein 0.0037 0.0247 0.0488
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0368 0.4788 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0182 0.224 0.224
Trypanosoma cruzi prolyl endopeptidase 0.0031 0.016 0.1044
Schistosoma mansoni hypothetical protein 0.0305 0.3934 0.3934
Loa Loa (eye worm) prolyl oligopeptidase 0.0388 0.5067 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0031 0.016 0.406
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0031 0.016 0.1044
Plasmodium vivax hypothetical protein, conserved 0.0031 0.016 0.028
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.2923 0.2923
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0052 0.0171
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0027 0.0052
Schistosoma mansoni ran 0.0021 0.0027 0.0027
Schistosoma mansoni hypothetical protein 0.0033 0.0191 0.0191
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0287 0.1874
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.013 0.1529 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0031 0.016 0.406
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0056 0.01
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0591 0.1166
Echinococcus granulosus metabotropic glutamate receptor 5 0.025 0.3178 0.3178
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0031 0.016 0.1044
Echinococcus granulosus importin subunit beta 1 0.0029 0.013 0.013
Entamoeba histolytica fatty acid elongase, putative 0.0048 0.0393 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0046 0.0371 0.0371
Brugia malayi Pre-SET motif family protein 0.0206 0.2574 0.5081
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.013 0.0691
Brugia malayi mbt repeat family protein 0.0046 0.0372 0.0735
Plasmodium vivax SET domain protein, putative 0.003 0.0144 0.0247
Echinococcus multilocularis geminin 0.0168 0.2047 0.2047
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0387 0.0764
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0027 0.0173
Loa Loa (eye worm) hypothetical protein 0.0031 0.016 0.0315
Brugia malayi Metabotropic glutamate receptor precursor. 0.0203 0.2532 0.4997
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0287 0.1874
Onchocerca volvulus 0.003 0.0144 0.0285
Brugia malayi PHD-finger family protein 0.0024 0.0069 0.0136
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0346 0.0346
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0346 0.0346
Loa Loa (eye worm) hypothetical protein 0.01 0.1107 0.2184
Plasmodium falciparum peptidase, putative 0.0031 0.016 0.028
Brugia malayi Importin beta-1 subunit 0.0029 0.013 0.0257
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.0287 0.0287
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.0372 0.0372
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.016 0.1044
Brugia malayi RNA binding protein 0.0062 0.0591 0.1166
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.0857 0.0857
Echinococcus multilocularis importin subunit beta 1 0.0029 0.013 0.013
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0052 0.0454 0.0895
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.0857 0.1692
Loa Loa (eye worm) glutamate receptor 0.0203 0.2532 0.4997
Entamoeba histolytica fatty acid elongase, putative 0.0048 0.0393 1
Echinococcus granulosus polycomb protein SCMH1 0.0046 0.0372 0.0372
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0251 0.319 0.319
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0346 0.0346
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0368 0.4788 1
Trypanosoma brucei prolyl oligopeptidase, putative 0.0031 0.016 0.0886
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0144 0.0144
Brugia malayi Inositol-1 0.004 0.0287 0.0565
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0052 0.0171
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0027 0.0173
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0031 0.016 0.0453
Loa Loa (eye worm) hypothetical protein 0.025 0.3178 0.6272
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.013 0.0691
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0305 0.3934 0.7764
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0129 0.0129
Echinococcus granulosus tar DNA binding protein 0.0062 0.0591 0.0591
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0031 0.016 0.1044
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0287 0.0884
Brugia malayi prolyl oligopeptidase family protein 0.0031 0.016 0.0315
Loa Loa (eye worm) hypothetical protein 0.0082 0.0857 0.1692
Echinococcus granulosus geminin 0.0168 0.2047 0.2047
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.013 0.1529 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0031 0.016 0.406
Schistosoma mansoni microtubule-associated protein tau 0.0747 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0532 0.0532
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0031 0.016 0.1044
Trypanosoma cruzi oligopeptidase b 0.0031 0.016 0.1044
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.013 0.1529 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.013 0.1529 0.1529
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0591 0.0591
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0372 0.0372
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0052 0.0054
Onchocerca volvulus 0.0046 0.0372 0.0735
Brugia malayi TAR-binding protein 0.0062 0.0591 0.1166
Brugia malayi Receptor family ligand binding region containing protein 0.0052 0.0454 0.0895
Echinococcus granulosus acylamino acid releasing enzyme 0.0031 0.016 0.016
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.0372 0.0372
Loa Loa (eye worm) hypothetical protein 0.0052 0.0454 0.0895
Giardia lamblia Alanyl dipeptidyl peptidase 0.0031 0.016 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0346 0.0346
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.016 0.0453
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0031 0.016 0.0886
Trichomonas vaginalis inositol monophosphatase, putative 0.004 0.0287 0.0884
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0287 0.1874
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.004 0.0287 0.0495
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0388 0.5067 0.5067
Loa Loa (eye worm) hypothetical protein 0.0053 0.046 0.0908
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0031 0.016 0.0886
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0012 0.0024
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0027 0.0027
Echinococcus multilocularis metabotropic glutamate receptor 2 0.017 0.2078 0.2078
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0368 0.4788 1
Brugia malayi Pre-SET motif family protein 0.003 0.0144 0.0285
Schistosoma mansoni metabotropic glutamate receptor 0.017 0.2078 0.2078
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.0857 0.0857
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0591 0.0591
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.046 0.046
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0144 0.0144
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0052 0.0171

Activities

Activity type Activity value Assay description Source Reference
KA (ADMET) = 11000 M-1 Association constant for compound at 31 degree C was determined ChEMBL. 2521516
MIC (functional) = 0.06 ug ml-1 Minimal inhibitory concentration of compound against Streptococcus pyogenes C203 ChEMBL. 2521516
MIC (functional) = 0.06 ug ml-1 Minimal inhibitory concentration of compound against Streptococcus pnemoniae UC41 ChEMBL. 2521516
MIC (functional) = 0.12 ug ml-1 Minimal inhibitory concentration of compound against Staphylococcus aureus Tour ChEMBL. 2521516
MIC (functional) = 0.12 ug ml-1 Minimal inhibitory concentration of compound against Streptococcus faecalis AACC7080 ChEMBL. 2521516
MIC (functional) = 0.25 ug ml-1 Minimal inhibitory concentration of compound against Staphylococcus aureus Tour in an inoculum of 10e6 cfu/mL ChEMBL. 2521516
MIC (functional) = 0.25 ug ml-1 Minimal inhibitory concentration of compound against Streptococcus epidermidis ATCC12228 ChEMBL. 2521516
MIC (functional) = 1 ug ml-1 Minimal inhibitory concentration of compound against Staphylococcus aureus Tour determined in iso-sensitest broth with an inoculum of 10e4 cfu/mL ChEMBL. 2521516

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.