Detailed information for compound 401333

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1198.92 | Formula: C58H45Cl2N7O18
  • H donors: 15 H acceptors: 15 LogP: 1.67 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 4
  • SMILES: Oc1cc2cc(c1)[C@@H]1NC(=O)[C@@H](Cc3ccc(c(c3)Cl)Oc3cc4[C@@H](NC1=O)C(=O)N[C@@H]1C(=O)N[C@H](C(=O)N[C@H](c5c(c6cc1ccc6O)c(O)cc(c5)O)C(=O)O)[C@H](O)c1ccc(Oc(c4)c3O)c(Cl)c1)NC(=O)[C@H](c1cc(O2)c(O)cc1)N
  • InChi: 1S/C58H45Cl2N7O18/c59-32-9-21-1-7-38(32)84-41-16-26-17-42(51(41)74)85-39-8-4-24(14-33(39)60)50(73)49-57(80)66-48(58(81)82)31-19-28(69)20-37(72)43(31)30-13-23(3-5-35(30)70)45(54(77)67-49)64-56(79)47(26)65-55(78)46-25-11-27(68)18-29(12-25)83-40-15-22(2-6-36(40)71)44(61)53(76)62-34(10-21)52(75)63-46/h1-9,11-20,34,44-50,68-74H,10,61H2,(H,62,76)(H,63,75)(H,64,79)(H,65,78)(H,66,80)(H,67,77)(H,81,82)/t34-,44-,45-,46+,47-,48-,49+,50-/m1/s1
  • InChiKey: DKVBOUDTNWVDEP-SKIDOVALSA-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
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0031 0.016 0.016
Schistosoma mansoni hypothetical protein 0.0305 0.3934 0.3934
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0372 0.0372
Leishmania major hypothetical protein, conserved 0.0091 0.0991 0.6481
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0371 0.0371
Echinococcus multilocularis metabotropic glutamate receptor 5 0.025 0.3178 0.3178
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
Loa Loa (eye worm) hypothetical protein 0.01 0.1107 0.2184
Giardia lamblia Alanyl dipeptidyl peptidase 0.0031 0.016 1
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.013 0.1529 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0046 0.0372 0.0372
Plasmodium falciparum peptidase, putative 0.0031 0.016 0.028
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0346 0.0683
Echinococcus multilocularis metabotropic glutamate receptor 2 0.017 0.2078 0.2078
Brugia malayi Bromodomain containing protein 0.0037 0.0247 0.0488
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0046 0.0372 0.0372
Trypanosoma cruzi oligopeptidase b 0.0031 0.016 0.1044
Brugia malayi Inositol-1 0.004 0.0287 0.0565
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0031 0.016 0.0227
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0591 0.0591
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0182 0.224 0.224
Toxoplasma gondii prolyl endopeptidase 0.0031 0.016 0.0886
Plasmodium vivax importin-beta 2, putative 0.0029 0.013 0.0218
Schistosoma mansoni ran 0.0021 0.0027 0.0027
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
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0031 0.016 0.406
Mycobacterium tuberculosis Probable peptidase 0.0031 0.016 0.0227
Entamoeba histolytica myo-inositol monophosphatase, putative 0.004 0.0287 0.7287
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0052 0.0054
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0012 0.0024
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0346 0.0346
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0056 0.01
Schistosoma mansoni hypothetical protein 0.002 0.0012 0.0012
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
Leishmania major importin beta-1 subunit, putative 0.0023 0.0056 0.0366
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0052 0.0171
Loa Loa (eye worm) MBCTL1 0.0053 0.046 0.0908
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.013 0.1529 1
Brugia malayi Importin beta-1 subunit 0.0029 0.013 0.0257
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.2923 0.2923
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.004 0.0287 0.173
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0591 0.0591
Echinococcus multilocularis SAM and MBT domain containing protein 0.0046 0.0372 0.0372
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
Trypanosoma cruzi prolyl endopeptidase 0.0031 0.016 0.1044
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.013 0.1529 1
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0052 0.0054
Brugia malayi hypothetical protein 0.0232 0.2923 0.5769
Entamoeba histolytica Ran family GTPase 0.0021 0.0027 0.0674
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0368 0.4788 1
Echinococcus granulosus importin subunit beta 1 0.0029 0.013 0.013
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0031 0.016 0.406
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
Schistosoma mansoni hypothetical protein 0.0168 0.2047 0.2047
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.013 0.1529 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0371 0.0371
Schistosoma mansoni ran 0.0021 0.0027 0.0027
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.046 0.046
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.046 0.046
Trichomonas vaginalis inositol monophosphatase, putative 0.004 0.0287 0.0884
Schistosoma mansoni sex comb on midleg homolog 0.0046 0.0372 0.0372
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0532 0.0532
Loa Loa (eye worm) hypothetical protein 0.0031 0.016 0.0315
Trypanosoma brucei prolyl oligopeptidase, putative 0.0031 0.016 0.0886
Loa Loa (eye worm) RNA binding protein 0.0062 0.0591 0.1166
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
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0287 0.1874
Schistosoma mansoni hypothetical protein 0.0033 0.0191 0.0191
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0031 0.016 0.016
Echinococcus granulosus metabotropic glutamate receptor 2 0.017 0.2078 0.2078
Loa Loa (eye worm) glutamate receptor 0.0203 0.2532 0.4997
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
Onchocerca volvulus 0.0082 0.0857 0.1692
Echinococcus granulosus prolyl endopeptidase 0.0031 0.016 0.016
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0216 0.0216
Brugia malayi prolyl oligopeptidase family protein 0.0388 0.5067 1
Entamoeba histolytica fatty acid elongase, putative 0.0048 0.0393 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0144 0.0144
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.013 0.1529 0.1529
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
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0144 0.0783
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.0287 0.0287
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.0857 0.0857
Brugia malayi Cytochrome P450 family protein 0.0022 0.0046 0.009
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0037 0.0037
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.2574 0.5081
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
Echinococcus multilocularis GPCR, family 3, C terminal 0.0033 0.0191 0.0191
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0031 0.016 0.0886
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0031 0.016 0.0227
Entamoeba histolytica hypothetical protein, conserved 0.0031 0.016 0.406
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0033 0.0191 0.0377
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0287 0.0884
Echinococcus granulosus inositol monophosphatase 1 0.004 0.0287 0.0287
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0046 0.0372 0.0735
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0346 0.0346
Echinococcus granulosus polycomb protein SCMH1 0.0046 0.0372 0.0372
Loa Loa (eye worm) hypothetical protein 0.0039 0.028 0.0552
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0368 0.4788 1
Onchocerca volvulus 0.0046 0.0372 0.0735
Brugia malayi prolyl oligopeptidase family protein 0.0031 0.016 0.0315
Schistosoma mansoni importin beta-1 0.0029 0.013 0.013
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0052 0.5
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
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0052 0.0342
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.004 0.0287 0.0495
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.046 0.046
Entamoeba histolytica prolyl oligopeptidase family protein 0.0031 0.016 0.406
Echinococcus multilocularis geminin 0.0168 0.2047 0.2047
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0231 0.2915 0.2915
Entamoeba histolytica hypothetical protein 0.0023 0.0056 0.1423
Onchocerca volvulus Prolyl endopeptidase homolog 0.0031 0.016 0.0315
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
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.0857 0.1692
Echinococcus multilocularis microtubule associated protein 2 0.0747 1 1
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
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
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
Loa Loa (eye worm) hypothetical protein 0.0033 0.0191 0.0377
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0144 0.0144
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.0857 0.0857
Loa Loa (eye worm) hypothetical protein 0.0031 0.016 0.0315
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0144 0.0144
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0591 0.0591
Loa Loa (eye worm) hypothetical protein 0.025 0.3178 0.6272
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0031 0.016 0.0886
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.013 0.0691
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
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
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
Loa Loa (eye worm) hypothetical protein 0.0046 0.0371 0.0733
Echinococcus multilocularis acylamino acid releasing enzyme 0.0031 0.016 0.016
Schistosoma mansoni hypothetical protein 0.0281 0.3598 0.3598
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0129 0.0129
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0368 0.4788 1
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
Brugia malayi Bromodomain containing protein 0.0073 0.0736 0.1452
Brugia malayi prolyl oligopeptidase family protein 0.013 0.1529 0.3018
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0368 0.4788 1
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0388 0.5067 0.5067
Entamoeba histolytica prolyl oligopeptidase family protein 0.0031 0.016 0.406
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 inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0287 0.173
Schistosoma mansoni hypothetical protein 0.0047 0.0387 0.0387
Entamoeba histolytica fatty acid elongase, putative 0.0048 0.0393 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0031 0.016 0.6077
Echinococcus granulosus acylamino acid releasing enzyme 0.0031 0.016 0.016
Echinococcus granulosus GPCR family 3 C terminal 0.0033 0.0191 0.0191
Trypanosoma brucei oligopeptidase b 0.0031 0.016 0.0886
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0368 0.4788 1
Brugia malayi mbt repeat family protein 0.0046 0.0372 0.0735
Brugia malayi prolyl oligopeptidase family protein 0.0031 0.016 0.0315
Toxoplasma gondii hypothetical protein 0.0031 0.016 0.0886
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 metabotropic glutamate receptor 0.0099 0.1099 0.1099
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0031 0.016 0.016
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0037 0.0037
Echinococcus granulosus 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
Loa Loa (eye worm) hypothetical protein 0.0029 0.013 0.0257
Loa Loa (eye worm) hypothetical protein 0.0041 0.0305 0.0602
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0031 0.016 0.0453
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0251 0.319 0.319
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.0857 0.0857
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.046 0.046
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
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0031 0.016 0.1044
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.016 0.1044
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0305 0.3934 0.7764
Entamoeba histolytica fatty acid elongase, putative 0.0048 0.0393 1
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
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0027 0.0027
Loa Loa (eye worm) glutamate receptor 0.008 0.0837 0.1651
Loa Loa (eye worm) hypothetical protein 0.0069 0.0679 0.134
Schistosoma mansoni microtubule-associated protein tau 0.0747 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0532 0.0532
Brugia malayi TAR-binding protein 0.0062 0.0591 0.1166
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0287 0.0884
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
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0216 0.0216
Entamoeba histolytica fatty acid elongase, putative 0.0048 0.0393 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0056 0.0366
Schistosoma mansoni bromodomain containing protein 0.0061 0.058 0.058
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
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0031 0.016 0.1044
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0387 0.0764
Brugia malayi Metabotropic glutamate receptor precursor. 0.0203 0.2532 0.4997
Brugia malayi PHD-finger family protein 0.0024 0.0069 0.0136
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
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0368 0.4788 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.013 0.1529 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
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
Loa Loa (eye worm) prolyl oligopeptidase 0.0388 0.5067 1
Schistosoma mansoni inositol monophosphatase 0.004 0.0287 0.0287
Trypanosoma cruzi oligopeptidase b 0.0031 0.016 0.1044
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.2923 0.2923
Entamoeba histolytica hypothetical protein 0.0023 0.0052 0.1328
Entamoeba histolytica prolyl oligopeptidase family protein 0.0031 0.016 0.406
Echinococcus granulosus metabotropic glutamate receptor 5 0.025 0.3178 0.3178
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.046 0.046
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0027 0.0173
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.004 0.0287 0.1874
Onchocerca volvulus 0.003 0.0144 0.0285
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0591 0.0591
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.016 0.0453
Brugia malayi hypothetical protein 0.01 0.1107 0.2184
Echinococcus multilocularis Dipeptidyl peptidase 9 0.013 0.1529 0.1529
Entamoeba histolytica fatty acid elongase, putative 0.0048 0.0393 1
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0031 0.016 0.1044
Onchocerca volvulus Poor gastrulation protein homolog 0.0033 0.0191 0.0377
Echinococcus multilocularis snurportin 1 0.0305 0.3934 0.3934
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 brucei prolyl endopeptidase 0.0031 0.016 0.0886
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.013 0.0691
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0027 0.0052
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0.016 0.1044
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0346 0.0346
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0388 0.5067 0.5067
Leishmania major oligopeptidase b 0.0031 0.016 0.1044
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.004 0.0287 0.0495
Echinococcus granulosus geminin 0.0168 0.2047 0.2047
Brugia malayi metabotropic glutamate receptor type 2 0.0099 0.1099 0.217
Trypanosoma cruzi oligopeptidase B-like protein, putative 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
Brugia malayi RNA, U transporter 1 0.0081 0.0855 0.1688
Loa Loa (eye worm) hypothetical protein 0.0046 0.0372 0.0735
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0027 0.0173
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0052 0.0171
Trichomonas vaginalis set domain proteins, putative 0.0235 0.2966 1
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 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

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.95 mg kg-1 Subcutaneously administration into mice infected with Streptococcus pyogenes C 203 ChEMBL. 2530352
ED50 (functional) = 0.95 mg kg-1 Efficacy of compound administered subcutaneously against Streptococcus pyogenes L 49 Septicemia in mouse ChEMBL. 1433211
ED50 (functional) = 0.95 mg kg-1 Minmum inhibitory concentration of the compound administered intravenously against Streptococcus pyogenes C203 in mouse ChEMBL. 2522992
Ka (binding) = 0.0003 M-1 Association constant with Ac2-L-Lys-D-Ala-D-Ala ChEMBL. 2530352
Ka (ADMET) = 30000 M-1 Association constant of compound was evaluated at pH 9 ChEMBL. 2522992
KA (ADMET) = 180000 M-1 Association constant for compound at 31 degree C was determined ChEMBL. 2521516
Ka (ADMET) = 250000 M-1 Association constant of compound was evaluated at pH 5 ChEMBL. 2522992
logD (ADMET) = 0.3 Partition coefficient (logD6.0) (1-butanol) ChEMBL. 2530352
MIC (functional) <= 0.125 mg ml-1 Minimum inhibitory concentration against 559 Enterococcus faecalis (isogenic of L 560) ChEMBL. 16099650
MIC (functional) <= 0.125 mg ml-1 Minimum inhibitory concentration against 568 Enterococcus faecium (isogenic of L569) ChEMBL. 16099650
MIC (functional) <= 0.125 mg ml-1 Minimum inhibitory concentration against 49 Streptococcus pyogenes C203 ChEMBL. 16099650
MIC (functional) <= 0.125 mg ml-1 Minimum inhibitory concentration against 1139 Enterococcus faecalis teico-vanco-sensitive ChEMBL. 16099650
MIC (functional) = 1 mg ml-1 Minimum inhibitory concentration against 819 Staphylococcus aureus Smith MSSA ChEMBL. 16099650
MIC (functional) = 1 mg ml-1 Minimum inhibitory concentration against 613 Staphylococcus aureus Clin. isolate Met-R ChEMBL. 16099650
MIC (functional) = 1 mg ml-1 Minimum inhibitory concentration against 1400 Staphylococcus aureus Clin. isolate Met-R ChEMBL. 16099650
MIC (functional) = 2 mg ml-1 Minimum inhibitory concentration against 147 Staphylococcus epidermidis ATCC 12228 ChEMBL. 16099650
MIC (functional) = 4 mg ml-1 Minimum inhibitory concentration against 3798 Staphylococcus aureus Clin. isolate VISA ChEMBL. 16099650
MIC (functional) = 16 mg ml-1 Minimum inhibitory concentration against 3797 Staphylococcus aureus Clin. isolate VISA ChEMBL. 16099650
MIC (functional) = 128 mg ml-1 Minimum inhibitory concentration against 559 Enterococcus faecalis Van-A ChEMBL. 16099650
MIC (functional) > 128 mg ml-1 Minimum inhibitory concentration against 569 Enterococcus faecium clin. isolate Van-A ChEMBL. 16099650
MIC (functional) > 128 mg ml-1 Minimum inhibitory concentration against 2215 Enterococcus faecium clin. isolate Van-A ChEMBL. 16099650
MIC (functional) > 128 mg ml-1 Minimum inhibitory concentration against 2981 Enterococcus faecalis clin. Isolate Van-A ChEMBL. 16099650
MIC (functional) = 0.016 ug ml-1 In vitro minimum inhibitory concentration against Staphylococcus epidermis ATCC 12228 ChEMBL. 2530352
MIC (functional) = 0.016 ug ml-1 Minimal inhibitory concentration of compound against Streptococcus epidermidis ATCC12228 ChEMBL. 2521516
MIC (functional) = 0.016 ug ml-1 Minimum inhibitory concentration against Staphylococcus epidermidis ATCC 12228 ChEMBL. 1433211
MIC (functional) = 0.016 ug ml-1 Minmum inhibitory concentration of the compound against Staphylococcus epidermis ATCC12228 evaluated in vitro ChEMBL. 2522992
MIC (functional) = 0.06 ug ml-1 In vitro minimum inhibitory concentration against Staphylococcus aureus Tour ChEMBL. 2530352
MIC (functional) = 0.06 ug ml-1 Minimal inhibitory concentration of compound against Staphylococcus aureus Tour ChEMBL. 2521516
MIC (functional) = 0.063 ug ml-1 Minimum inhibitory concentration against Staphylococcus aureus L 165 ChEMBL. 1433211
MIC (functional) = 0.063 ug ml-1 Minmum inhibitory concentration of the compound against Staphylococcus aureus Tour evaluated in vitro ChEMBL. 2522992
MIC (functional) = 0.063 ug ml-1 Minmum inhibitory concentration of the compound against Staphylococcus epidermis L1378 evaluated in vitro ChEMBL. 2522992
MIC (functional) = 0.063 ug ml-1 Minmum inhibitory concentration of the compound against Staphylococcus simulans L785 evaluated in vitro ChEMBL. 2522992
MIC (functional) = 0.063 ug ml-1 Minmum inhibitory concentration of the compound against Staphylococcus simulans L1142 evaluated in vitro ChEMBL. 2522992
MIC (functional) = 0.063 ug ml-1 Minmum inhibitory concentration of the compound against Staphylococcus hominis L1070 evaluated in vitro ChEMBL. 2522992
MIC (functional) = 0.12 ug ml-1 In vitro minimum inhibitory concentration against Streptococcus pyogenes C 203 ChEMBL. 2530352
MIC (functional) = 0.12 ug ml-1 In vitro minimum inhibitory concentration against Streptococcus pneumoniae UC41 ChEMBL. 2530352
MIC (functional) = 0.12 ug ml-1 In vitro minimum inhibitory concentration against Streptococcus faecalis ATCC 7080 ChEMBL. 2530352
MIC (functional) = 0.12 ug ml-1 Minimal inhibitory concentration of compound against Staphylococcus aureus Tour in an inoculum of 10e6 cfu/mL ChEMBL. 2521516
MIC (functional) = 0.12 ug ml-1 Minimal inhibitory concentration of compound against Streptococcus pyogenes C203 ChEMBL. 2521516
MIC (functional) = 0.12 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 Streptococcus faecalis AACC7080 ChEMBL. 2521516
MIC (functional) = 0.125 ug ml-1 Minimum inhibitory concentration against Streptococcus pyogenes L 49 ChEMBL. 1433211
MIC (functional) = 0.125 ug ml-1 Minimum inhibitory concentration against Streptococcus pneumoniae L 44 ChEMBL. 1433211
MIC (functional) = 0.125 ug ml-1 Minimum inhibitory concentration against Enterococcus faecalis ATCC 7080 ChEMBL. 1433211
MIC (functional) = 0.125 ug ml-1 Minmum inhibitory concentration of the compound against Streptococcus pyogenes C 203 evaluated in vitro ChEMBL. 2522992
MIC (functional) = 0.125 ug ml-1 Minmum inhibitory concentration of the compound against Streptococcus pneumoniae UC 41 evaluated in vitro ChEMBL. 2522992
MIC (functional) = 0.125 ug ml-1 Minmum inhibitory concentration of the compound against Streptococcus faecalis ATCC 7080 evaluated in vitro ChEMBL. 2522992
MIC (functional) = 0.125 ug ml-1 Minmum inhibitory concentration of the compound against Staphylococcus haemolyticus L1520 evaluated in vitro ChEMBL. 2522992
MIC (functional) = 0.13 ug ml-1 Minimum inhibitory concentration of compound was determined against Streptococcus pyogenes L 49 in mouse ChEMBL. 1433211
MIC (functional) = 0.13 ug ml-1 Antibacterial activity against glycopeptide susceptible Enterococcus faecium 568 strain ChEMBL. 12646030
MIC (functional) = 0.13 ug ml-1 Antibacterial activity against glycopeptide susceptible Enterococcus faecalis 559 strain ChEMBL. 12646030
MIC (functional) = 0.25 ug ml-1 In vitro minimum inhibitory concentration against Staphylococcus hemolyticus 602 cell line ChEMBL. 2530352
MIC (functional) = 0.25 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
MIC (functional) = 0.25 ug ml-1 Minimum inhibitory concentration against Staphylococcus haemolyticus L 602 ChEMBL. 1433211
MIC (functional) = 0.25 ug ml-1 Antibacterial activity against Staphylococcus epidermis 533 strain ChEMBL. 12646030
MIC (functional) = 0.25 ug ml-1 Antibacterial activity against Streptococcus haemolyticus 602 strain ChEMBL. 12646030
MIC (functional) = 0.25 ug ml-1 Minmum inhibitory concentration of the compound against Staphylococcus warneri L1375 evaluated in vitro ChEMBL. 2522992
MIC (functional) = 1 ug ml-1 Antibacterial activity against glycopeptide intermediate resistant Staphylococcus aureus 3797 strain ChEMBL. 12646030
MIC (functional) = 1 ug ml-1 Antibacterial activity against glycopeptide intermediate resistant Staphylococcus aureus 3798 strain ChEMBL. 12646030
MIC (functional) = 64 ug ml-1 In vitro minimum inhibitory concentration against E. coli SKF 12140 ChEMBL. 2530352
MIC (functional) = 64 ug ml-1 Minimum inhibitory concentration against Escherichia coli L 47 ChEMBL. 1433211
MIC (functional) = 128 ug ml-1 In vitro minimum inhibitory concentration against Proteus vulgaris X 19 ATCC 881 ChEMBL. 2530352
MIC (functional) > 128 ug ml-1 In vitro minimum inhibitory concentration against P. aeruginosa ATCC 10145 ChEMBL. 2530352
MIC (functional) = 128 ug ml-1 Minimum inhibitory concentration against Proteus vulgaris ATCC 881 ChEMBL. 1433211
MIC (functional) > 128 ug ml-1 Minimum inhibitory concentration against Pseudomonas aeruginosa ATCC 10145 ChEMBL. 1433211
MIC (functional) > 128 ug ml-1 Antibacterial activity against glycopeptide resistant Enterococcus faecium 569 strain ChEMBL. 12646030
MIC (functional) > 128 ug ml-1 Antibacterial activity against glycopeptide resistant Enterococcus faecalis 560 strain ChEMBL. 12646030

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

6 literature references were collected for this gene.

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