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

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

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.

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