Detailed information for compound 33186

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 600.663 | Formula: C30H37N2O7PS
  • H donors: 4 H acceptors: 7 LogP: 3.13 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: CNC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)C(CP(=O)(Cc1ccc(cc1)S(=O)(=O)c1ccccc1)O)CC(C)C
  • InChi: 1S/C30H37N2O7PS/c1-21(2)17-24(29(34)32-28(30(35)31-3)18-22-9-13-25(33)14-10-22)20-40(36,37)19-23-11-15-27(16-12-23)41(38,39)26-7-5-4-6-8-26/h4-16,21,24,28,33H,17-20H2,1-3H3,(H,31,35)(H,32,34)(H,36,37)/t24?,28-/m1/s1
  • InChiKey: DEDCGWYIPIGGIQ-ITCMONMYSA-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
Homo sapiens matrix metallopeptidase 1 (interstitial collagenase) 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
Brugia malayi Matrixin family protein matrix metallopeptidase 1 (interstitial collagenase) 403 aa 401 aa 27.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0045 0.0336 0.0538
Loa Loa (eye worm) hypothetical protein 0.0021 0.0027 0.0043
Loa Loa (eye worm) hypothetical protein 0.0027 0.0102 0.0164
Echinococcus multilocularis isocitrate dehydrogenase 0.0031 0.0157 0.0157
Brugia malayi beta-lactamase 0.0036 0.0219 0.0354
Loa Loa (eye worm) hypothetical protein 0.0045 0.0336 0.0543
Schistosoma mansoni laminin gamma-3 chain 0.0048 0.037 0.0592
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0498 0.6192 1
Brugia malayi Pre-SET motif family protein 0.0209 0.2462 0.3976
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0045 0.0336 0.0543
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0498 0.6192 0.5
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0498 0.6192 1
Brugia malayi Carboxylesterase family protein 0.0056 0.047 0.0759
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0056 0.047 0.0752
Loa Loa (eye worm) hypothetical protein 0.0021 0.0027 0.0043
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0231 0.0371
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0096 0.0989 0.0989
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0045 0.0336 0.0336
Onchocerca volvulus 0.0036 0.0219 0.0452
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0498 0.6192 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0219 0.0354
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0231 0.2747 0.4386
Loa Loa (eye worm) hypothetical protein 0.0024 0.006 0.0097
Echinococcus granulosus nuclear factor of activated T cells 5 0.0074 0.071 0.1136
Loa Loa (eye worm) hypothetical protein 0.0036 0.0219 0.0354
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0301 0.0486
Echinococcus multilocularis neurogenic locus notch protein 0.0048 0.037 0.037
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0139 0.0223
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0099 0.1033 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0021 0.0027 0.0043
Loa Loa (eye worm) carboxylesterase 0.0056 0.047 0.0759
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0031 0.0157 0.0252
Loa Loa (eye worm) beta-lactamase 0.0036 0.0219 0.0354
Brugia malayi CHE-14 protein 0.0043 0.0301 0.0486
Schistosoma mansoni gliotactin 0.0056 0.047 0.0752
Brugia malayi ecdysone receptor 0.0021 0.0027 0.0043
Loa Loa (eye worm) hypothetical protein 0.0045 0.0336 0.0543
Echinococcus granulosus expressed protein 0.0376 0.4613 0.7385
Brugia malayi Niemann-Pick C1 protein precursor 0.0099 0.1033 0.1668
Schistosoma mansoni thyroid hormone receptor 0.0045 0.0336 0.0538
Brugia malayi nuclear receptor RXR 0.0024 0.006 0.0097
Onchocerca volvulus 0.0064 0.058 0.1299
Schistosoma mansoni inositol monophosphatase 0.0037 0.0231 0.0371
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0031 0.0157 0.003
Entamoeba histolytica hypothetical protein 0.0036 0.0219 0.212
Echinococcus multilocularis pikachurin 0.0048 0.037 0.037
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0157 0.0157
Onchocerca volvulus 0.0037 0.0233 0.0485
Brugia malayi Hemopexin family protein 0.0037 0.0233 0.0377
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0045 0.0336 0.0727
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0021 0.0027 0.0027
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0179 0.0289
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0231 0.011
Loa Loa (eye worm) protein-tyrosine phosphatase 0.034 0.4157 0.6714
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0045 0.0336 0.0543
Loa Loa (eye worm) steroid hormone receptor 0.0045 0.0336 0.0543
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0157 0.003
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0045 0.0336 0.0336
Onchocerca volvulus 0.0238 0.2838 0.6601
Schistosoma mansoni cell polarity protein 0.0048 0.037 0.0592
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0219 0.0354
Brugia malayi Nuclear hormone receptor-like 1 0.0045 0.0336 0.0543
Brugia malayi Inositol-1 0.0037 0.0231 0.0374
Trichomonas vaginalis esterase, putative 0.0036 0.0219 0.0354
Loa Loa (eye worm) hypothetical protein 0.0056 0.047 0.0759
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0102 0.0164
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0024 0.006 0.0097
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0179 0.0289
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0056 0.047 0.0752
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0045 0.0336 0.0538
Echinococcus multilocularis Niemann Pick C1 protein 0.0142 0.1583 0.1583
Brugia malayi follicle stimulating hormone receptor 0.0238 0.283 0.457
Brugia malayi Pre-SET motif family protein 0.003 0.0139 0.0225
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0157 0.0157
Schistosoma mansoni steroid hormone receptor ad4bp 0.0045 0.0336 0.0538
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0219 0.0351
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0056 0.047 0.047
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0219 0.0105
Echinococcus granulosus FTZ F1 alpha 0.0045 0.0336 0.0538
Loa Loa (eye worm) hypothetical protein 0.0056 0.047 0.0759
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0576 0.093
Entamoeba histolytica hypothetical protein 0.0036 0.0219 0.212
Schistosoma mansoni hypothetical protein 0.0072 0.0676 0.1083
Schistosoma mansoni hypothetical protein 0.0033 0.0179 0.0286
Brugia malayi Isocitrate dehydrogenase 0.0031 0.0157 0.0254
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0027 0.0043
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0179 0.0286
Loa Loa (eye worm) hypothetical protein 0.0036 0.0219 0.0354
Loa Loa (eye worm) hypothetical protein 0.0052 0.0425 0.0686
Echinococcus granulosus neuroligin 0.0056 0.047 0.0752
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0045 0.0336 0.0543
Echinococcus multilocularis musashi 0.0027 0.0102 0.0102
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0045 0.0336 0.0538
Loa Loa (eye worm) isocitrate dehydrogenase 0.0031 0.0157 0.0254
Brugia malayi hypothetical protein 0.0036 0.0219 0.0354
Echinococcus multilocularis expressed conserved protein 0.0093 0.0955 0.0955
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0045 0.0336 0.0336
Loa Loa (eye worm) hypothetical protein 0.0021 0.0027 0.0043
Loa Loa (eye worm) nuclear receptor NHR-67 0.0021 0.0027 0.0043
Echinococcus multilocularis protein patched 0.0043 0.0301 0.0301
Brugia malayi Carboxylesterase family protein 0.0056 0.047 0.0759
Echinococcus multilocularis lamin dm0 0.0027 0.0102 0.0102
Brugia malayi Carboxylesterase family protein 0.0056 0.047 0.0759
Mycobacterium tuberculosis Carboxylesterase LipT 0.0488 0.6063 1
Brugia malayi Matrixin family protein 0.0026 0.0091 0.0147
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0045 0.0336 0.0538
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0157 0.0157
Schistosoma mansoni intermediate filament proteins 0.0027 0.0102 0.0163
Echinococcus multilocularis GPCR, family 2 0.0033 0.0179 0.0179
Onchocerca volvulus 0.0036 0.0219 0.0452
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0045 0.0336 0.0543
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.006 0.0097
Schistosoma mansoni hypothetical protein 0.0033 0.0179 0.0286
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0045 0.0336 0.0543
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0024 0.006 0.0096
Mycobacterium ulcerans lipase LipD 0.0036 0.0219 0.009
Loa Loa (eye worm) abnormal epIthelia family member 0.0048 0.037 0.0597
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0231 0.0152
Brugia malayi nuclear receptor NHR-67 0.0021 0.0027 0.0043
Onchocerca volvulus 0.0056 0.047 0.104
Onchocerca volvulus Protein ultraspiracle homolog 0.0045 0.0336 0.0727
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0498 0.6192 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0056 0.047 0.0759
Brugia malayi Carboxylesterase family protein 0.0056 0.047 0.0759
Loa Loa (eye worm) hypothetical protein 0.0036 0.0219 0.0354
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0498 0.6192 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0021 0.0027 0.0027
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0219 0.0105
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0024 0.006 0.006
Mycobacterium tuberculosis Conserved protein 0.0036 0.0219 0.0105
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0219 0.0351
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0074 0.071 0.071
Echinococcus granulosus nuclear receptor nhr 48 0.0021 0.0027 0.0043
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0238 0.283 0.457
Brugia malayi orphan nuclear receptor NR2E1 0.0021 0.0027 0.0043
Brugia malayi hypothetical protein 0.0021 0.0027 0.0043
Onchocerca volvulus 0.0026 0.0091 0.0151
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0139 0.0223
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0021 0.0027 0.0043
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0027 0.0043
Loa Loa (eye worm) hypothetical protein 0.003 0.0139 0.0225
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0576 0.093
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0045 0.0336 0.0543
Echinococcus granulosus geminin 0.0502 0.6246 1
Echinococcus granulosus Niemann Pick C1 protein 0.0099 0.1033 0.1654
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0045 0.0336 0.0336
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0056 0.047 0.0752
Brugia malayi nuclear receptor NHR-88 0.0045 0.0336 0.0543
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0045 0.0336 0.0543
Echinococcus granulosus jun protein 0.0082 0.0807 0.1292
Brugia malayi intermediate filament protein 0.0027 0.0102 0.0164
Loa Loa (eye worm) hypothetical protein 0.0024 0.006 0.0097
Echinococcus granulosus Niemann Pick C1 protein 0.0142 0.1583 0.2535
Echinococcus granulosus tar DNA binding protein 0.0064 0.0576 0.0921
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0031 0.0157 0.0157
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0219 0.0354
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0498 0.6192 0.9913
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0139 0.0223
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0301 0.0486
Schistosoma mansoni thyroid hormone receptor 0.0045 0.0336 0.0538
Loa Loa (eye worm) hypothetical protein 0.0056 0.047 0.0759
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0219 0.0354
Onchocerca volvulus 0.0056 0.047 0.104
Schistosoma mansoni acetylcholinesterase 0.0056 0.047 0.0752
Echinococcus granulosus lamin 0.0027 0.0102 0.0163
Schistosoma mansoni coup transcription factor 0.0045 0.0336 0.0538
Loa Loa (eye worm) carboxylesterase 0.0056 0.047 0.0759
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0031 0.0157 0.0252
Brugia malayi RNA binding protein 0.0064 0.0576 0.093
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0219 0.0105
Brugia malayi nuclear hormone receptor 0.0021 0.0027 0.0043
Brugia malayi nuclear receptor NHR-88 0.0021 0.0027 0.0043
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0231 0.0374
Echinococcus multilocularis acetylcholinesterase 0.0056 0.047 0.047
Loa Loa (eye worm) hypothetical protein 0.0021 0.0027 0.0043
Loa Loa (eye worm) RNA binding protein 0.0064 0.0576 0.093
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0219 0.0351
Echinococcus multilocularis carboxylesterase 5A 0.0056 0.047 0.047
Loa Loa (eye worm) hypothetical protein 0.0021 0.0027 0.0043
Brugia malayi nuclear receptor RXR 0.0021 0.0027 0.0043
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0045 0.0336 0.0543
Loa Loa (eye worm) hypothetical protein 0.0099 0.1033 0.1668
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0101 0.1053 0.1685
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0102 0.0164
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0045 0.0336 0.0538
Schistosoma mansoni hypothetical protein 0.0041 0.0281 0.045
Onchocerca volvulus 0.003 0.0139 0.0264
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0139 0.0223
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0173 0.1985 0.3095
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0082 0.0807 0.1292
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0045 0.0336 0.0336
Brugia malayi TAR-binding protein 0.0064 0.0576 0.093
Loa Loa (eye worm) hypothetical protein 0.0056 0.047 0.0759
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0165 0.1885 0.2863
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0498 0.6192 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0219 0.009
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0231 0.0374
Loa Loa (eye worm) hypothetical protein 0.0024 0.006 0.0097
Echinococcus granulosus thyroid hormone receptor alpha 0.0021 0.0027 0.0043
Schistosoma mansoni hypothetical protein 0.0036 0.0219 0.0351
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0045 0.0336 0.0543
Schistosoma mansoni hypothetical protein 0.0033 0.0179 0.0286
Brugia malayi laminin alpha chain 0.0048 0.037 0.0597
Loa Loa (eye worm) hypothetical protein 0.0048 0.037 0.0597
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0032 0.0165 0.0267
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0498 0.6192 1
Loa Loa (eye worm) matrixin family protein 0.0058 0.0506 0.0817
Loa Loa (eye worm) hypothetical protein 0.0045 0.0336 0.0543
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0219 0.0105
Onchocerca volvulus 0.0056 0.047 0.104
Mycobacterium tuberculosis Conserved protein 0.0036 0.0219 0.0105
Loa Loa (eye worm) hypothetical protein 0.0021 0.0027 0.0043
Brugia malayi Nuclear hormone receptor E75 0.0021 0.0027 0.0043
Brugia malayi beta-lactamase family protein 0.0036 0.0219 0.0354
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0045 0.0336 0.0538
Loa Loa (eye worm) hypothetical protein 0.0032 0.0165 0.0267
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0219 0.0103
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0576 0.0576
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0179 0.0179
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0021 0.0027 0.0043
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0301 0.0481
Schistosoma mansoni nuclear hormone receptor 0.0045 0.0336 0.0538
Loa Loa (eye worm) hypothetical protein 0.0056 0.047 0.0759
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.034 0.4157 0.6656
Loa Loa (eye worm) carboxylesterase 0.0056 0.047 0.0759
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0325 0.3957 0.6308
Echinococcus multilocularis acetylcholinesterase 0.0056 0.047 0.047
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0056 0.047 0.0752
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0219 0.0132
Brugia malayi ecdysteroid receptor 0.035 0.4286 0.6921
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0179 0.0289
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0576 0.0921
Echinococcus granulosus expressed conserved protein 0.0093 0.0955 0.1529
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0576 0.0921
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0219 0.0351
Echinococcus granulosus BC026374 protein S09 family 0.0056 0.047 0.0752
Mycobacterium ulcerans hypothetical protein 0.0036 0.0219 0.009
Echinococcus granulosus ecdysone induced protein 78C 0.0045 0.0336 0.0538
Loa Loa (eye worm) matrix metalloproteinase 0.0026 0.0091 0.0147
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0045 0.0336 0.0543
Brugia malayi laminin-like protein K08C7.3 precursor 0.0048 0.037 0.0597
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0219 0.0351
Loa Loa (eye worm) hypothetical protein 0.0045 0.0336 0.0543
Onchocerca volvulus 0.0045 0.0336 0.0727
Schistosoma mansoni hypothetical protein 0.0502 0.6246 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.047 0.0759
Loa Loa (eye worm) hypothetical protein 0.0033 0.0179 0.0289
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0139 0.0139
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0045 0.0336 0.0336
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0045 0.0336 0.0538
Loa Loa (eye worm) hypothetical protein 0.0079 0.0778 0.1256
Onchocerca volvulus Matrilysin homolog 0.0058 0.0506 0.1125
Loa Loa (eye worm) nuclear hormone receptor 0.0021 0.0027 0.0043
Brugia malayi Matrixin family protein 0.0026 0.0091 0.0147
Schistosoma mansoni nuclear receptor 0.0021 0.0027 0.0043
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0498 0.6192 0.9913
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0021 0.0027 0.0027
Onchocerca volvulus Bile acid receptor homolog 0.035 0.4286 1
Schistosoma mansoni jun-related protein 0.0066 0.0609 0.0975
Loa Loa (eye worm) hypothetical protein 0.0045 0.0336 0.0543
Echinococcus multilocularis slit 2 protein 0.0048 0.037 0.037
Loa Loa (eye worm) hypothetical protein 0.0026 0.0091 0.0147
Brugia malayi hypothetical protein 0.0021 0.0027 0.0043
Schistosoma mansoni chondroitin sulfate proteoglycan-related 0.0048 0.037 0.0592
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0045 0.0336 0.0543
Mycobacterium ulcerans carboxylesterase, LipT 0.0488 0.6063 0.9786
Loa Loa (eye worm) hypothetical protein 0.0045 0.0336 0.0543
Loa Loa (eye worm) hypothetical protein 0.0105 0.1105 0.1784
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0045 0.0336 0.0543
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0056 0.047 0.0529
Loa Loa (eye worm) hypothetical protein 0.0072 0.0676 0.1092
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0498 0.6192 1
Brugia malayi Steroid receptor seven-up type 2 0.0045 0.0336 0.0543
Entamoeba histolytica hypothetical protein 0.0036 0.0219 0.212
Loa Loa (eye worm) hypothetical protein 0.0026 0.0091 0.0147
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0045 0.0336 0.0543
Mycobacterium leprae Probable lipase LipE 0.0036 0.0219 1
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0498 0.6192 0.5
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0027 0.0043
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0219 0.0105
Schistosoma mansoni nuclear receptor 0.0021 0.0027 0.0043
Brugia malayi tailless protein 0.0021 0.0027 0.0043
Brugia malayi beta-lactamase family protein 0.0036 0.0219 0.0354
Echinococcus multilocularis para nitrobenzyl esterase 0.0056 0.047 0.047
Brugia malayi hypothetical protein 0.0064 0.058 0.0937
Schistosoma mansoni BC026374 protein (S09 family) 0.0056 0.047 0.0752
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0231 0.0231
Loa Loa (eye worm) hypothetical protein 0.0048 0.037 0.0597
Brugia malayi EGF-like domain containing protein 0.0048 0.037 0.0597
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0021 0.0027 0.0043
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0045 0.0336 0.0543
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0498 0.6192 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0219 0.0354
Loa Loa (eye worm) hypothetical protein 0.0026 0.0091 0.0147
Loa Loa (eye worm) hypothetical protein 0.0024 0.006 0.0097
Loa Loa (eye worm) hypothetical protein 0.0021 0.0027 0.0043
Loa Loa (eye worm) hypothetical protein 0.0021 0.0027 0.0043
Echinococcus multilocularis BC026374 protein (S09 family) 0.0056 0.047 0.047
Brugia malayi Protein-tyrosine phosphatase containing protein 0.034 0.4157 0.6714
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0056 0.047 0.0759
Echinococcus granulosus carboxylesterase 5A 0.0056 0.047 0.0752
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0179 0.0179
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0219 0.009
Echinococcus multilocularis FTZ F1 alpha 0.0045 0.0336 0.0336
Schistosoma mansoni patched 1 0.0043 0.0301 0.0481
Schistosoma mansoni hypothetical protein 0.0041 0.0281 0.045
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0027 0.0027
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0219 0.0354
Brugia malayi Carboxylesterase family protein 0.0056 0.047 0.0759
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0021 0.0027 0.0043
Mycobacterium tuberculosis Conserved protein 0.0036 0.0219 0.0105
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0056 0.047 0.0752
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0045 0.0336 0.0543
Loa Loa (eye worm) hypothetical protein 0.0056 0.047 0.0759
Toxoplasma gondii ABC1 family protein 0.0036 0.0219 0.0132
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0219 0.0219
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0301 0.0301
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0498 0.6192 0.6192
Echinococcus granulosus intermediate filament protein 0.0027 0.0102 0.0163
Loa Loa (eye worm) hypothetical protein 0.0024 0.006 0.0097
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0045 0.0336 0.0543
Echinococcus granulosus acetylcholinesterase 0.0056 0.047 0.0752
Schistosoma mansoni hypothetical protein 0.0502 0.6246 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0231 0.0123
Loa Loa (eye worm) hypothetical protein 0.0043 0.0301 0.0486
Schistosoma mansoni hypothetical protein 0.0033 0.0179 0.0286
Loa Loa (eye worm) hypothetical protein 0.035 0.4286 0.6921
Schistosoma mansoni hypothetical protein 0.0037 0.0233 0.0374
Onchocerca volvulus 0.0027 0.0102 0.0176
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0045 0.0336 0.0538
Brugia malayi photoreceptor-specific nuclear receptor 0.0045 0.0336 0.0543
Schistosoma mansoni nuclear receptor nhr-48 0.0021 0.0027 0.0043
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0231 0.0374
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0045 0.0336 0.0538
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0219 1
Brugia malayi steroid hormone receptor 0.0045 0.0336 0.0543
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.034 0.4157 0.6656
Loa Loa (eye worm) hypothetical protein 0.0021 0.0027 0.0043
Schistosoma mansoni neuroligin 3 (S09 family) 0.0056 0.047 0.0752
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0219 0.0354
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0045 0.0336 0.0543
Loa Loa (eye worm) hypothetical protein 0.0021 0.0027 0.0043
Loa Loa (eye worm) hypothetical protein 0.0021 0.0027 0.0043
Schistosoma mansoni inositol monophosphatase 0.0037 0.0231 0.0371
Loa Loa (eye worm) DR-78 0.0021 0.0027 0.0043
Echinococcus multilocularis neuroligin 0.0056 0.047 0.047
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.0676 0.1092
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0026 0.0091 0.0146
Echinococcus multilocularis jun protein 0.0082 0.0807 0.0807
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0139 0.0223
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0219 0.0354
Onchocerca volvulus 0.0056 0.047 0.104
Brugia malayi isocitrate dehydrogenase 0.0031 0.0157 0.0254
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0219 0.0103
Echinococcus multilocularis expressed protein 0.0376 0.4613 0.4613
Echinococcus granulosus neurogenic locus notch protein 0.0048 0.037 0.0592
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0181 0.004
Echinococcus granulosus Nuclear hormone receptor HR96 0.0021 0.0027 0.0043
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0045 0.0336 0.0543
Loa Loa (eye worm) hypothetical protein 0.0056 0.047 0.0759
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.016 0.1823 0.276
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0032 0.0165 0.0014
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0231 0.0123
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0157 0.003
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0045 0.0336 0.0538
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.1105 0.1784
Echinococcus granulosus pikachurin 0.0048 0.037 0.0592
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.006 0.0096
Schistosoma mansoni hypothetical protein 0.0041 0.0281 0.045
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0181 0.2924
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0576 0.0921
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0498 0.6192 1
Schistosoma mansoni hypothetical protein 0.0066 0.0609 0.0975
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0045 0.0336 0.0538
Echinococcus multilocularis thyroid hormone receptor alpha 0.0045 0.0336 0.0336
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0021 0.0027 0.0027
Brugia malayi Matrixin family protein 0.0026 0.0091 0.0147
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0096 0.0989 0.1583
Schistosoma mansoni lamin 0.0027 0.0102 0.0163
Echinococcus granulosus Nuclear hormone receptor HR96 0.0021 0.0027 0.0043
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0498 0.6192 1
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0498 0.6192 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0099 0.1033 0.1033
Leishmania major hypothetical protein, conserved 0.0036 0.0219 0.0103
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0219 0.0105
Echinococcus granulosus slit 2 protein 0.0048 0.037 0.0592
Echinococcus multilocularis protein dispatched 1 0.0049 0.0378 0.0378
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.1105 0.1784
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0045 0.0336 0.0543
Echinococcus granulosus GPCR family 2 0.0033 0.0179 0.0286
Brugia malayi Carboxylesterase family protein 0.0056 0.047 0.0759
Brugia malayi glucose-6-phosphate dehydrogenase 0.0498 0.6192 1
Echinococcus granulosus acetylcholinesterase 0.0056 0.047 0.0752
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0021 0.0027 0.0043
Echinococcus multilocularis ecdysone induced protein 78C 0.0045 0.0336 0.0336
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0301 0.0481
Echinococcus granulosus lamin dm0 0.0027 0.0102 0.0163
Onchocerca volvulus 0.0056 0.047 0.104
Onchocerca volvulus 0.0027 0.0102 0.0176
Mycobacterium ulcerans beta-lactamase 0.0036 0.0219 0.009
Loa Loa (eye worm) hypothetical protein 0.0021 0.0027 0.0043
Loa Loa (eye worm) matrixin family protein 0.0064 0.0574 0.0927
Brugia malayi hypothetical protein 0.0024 0.006 0.0097
Schistosoma mansoni RAR-like nuclear receptor 0.0045 0.0336 0.0538
Brugia malayi Thrombospondin N-terminal -like domain containing protein 0.0048 0.037 0.0597
Brugia malayi Matrixin family protein 0.0026 0.0091 0.0147
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0576 0.0921
Schistosoma mansoni lamin 0.0027 0.0102 0.0163
Brugia malayi hypothetical protein 0.0056 0.047 0.0759
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0045 0.0336 0.0543
Loa Loa (eye worm) hypothetical protein 0.0045 0.0336 0.0543
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0021 0.0027 0.0027
Brugia malayi bZIP transcription factor family protein 0.0082 0.0807 0.1303
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0219 0.0354
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0231 0.0123
Loa Loa (eye worm) hypothetical protein 0.0036 0.0219 0.0354
Loa Loa (eye worm) hypothetical protein 0.0027 0.0095 0.0154
Loa Loa (eye worm) hypothetical protein 0.0048 0.037 0.0597
Schistosoma mansoni retinoic acid receptor RXR 0.0045 0.0336 0.0538
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0024 0.006 0.0096
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0325 0.3957 0.6292
Onchocerca volvulus Matrix metalloproteinase homolog 0.0058 0.0506 0.1125
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0219 0.0103
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0125 0.02
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0056 0.047 0.0529
Schistosoma mansoni hypothetical protein 0.0041 0.0281 0.045
Trichomonas vaginalis set domain proteins, putative 0.0238 0.2836 0.4581
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0231 0.0123
Brugia malayi nuclear hormone receptor family member nhr-6 0.0021 0.0027 0.0043
Brugia malayi nuclear hormone receptor 0.0045 0.0336 0.0543
Loa Loa (eye worm) hypothetical protein 0.0056 0.047 0.0759
Brugia malayi Matrixin family protein 0.0064 0.0574 0.0927
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0179 0.0286
Schistosoma mansoni slit 0.0048 0.037 0.0592
Brugia malayi conserved hypotetical protein 0.0021 0.0027 0.0043
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0082 0.0807 0.0807
Echinococcus multilocularis lamin 0.0027 0.0102 0.0102
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.2462 0.3976
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0231 0.2241
Echinococcus granulosus para nitrobenzyl esterase 0.0056 0.047 0.0752
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0576 0.0921
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0231 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0576 0.093
Entamoeba histolytica hypothetical protein 0.0036 0.0219 0.212
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0102 0.0164
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0045 0.0336 0.0538
Echinococcus multilocularis geminin 0.0502 0.6246 0.6246
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0045 0.0336 0.0538
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.006 0.0097
Brugia malayi Nuclear hormone receptor E75 0.0021 0.0027 0.0043
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.1105 0.1784
Onchocerca volvulus 0.0036 0.0219 0.0452
Schistosoma mansoni zinc finger protein 0.0021 0.0027 0.0043
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0219 0.0105
Brugia malayi hypothetical protein 0.0024 0.006 0.0097
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.034 0.4157 0.4157
Loa Loa (eye worm) acetylcholinesterase 1 0.0056 0.047 0.0759
Onchocerca volvulus Matrilysin homolog 0.0026 0.0091 0.0151
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0219 0.0219
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0139 0.0139
Loa Loa (eye worm) inositol-1 0.0037 0.0231 0.0374
Loa Loa (eye worm) hypothetical protein 0.0021 0.0027 0.0043

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1700 nM Inhibitory activity against recombinant matrix metalloprotease-1 (MMP-1). ChEMBL. 10021913
IC50 (binding) = 1700 nM Inhibitory activity against recombinant matrix metalloprotease-1 (MMP-1). ChEMBL. 10021913

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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