Detailed information for compound 1658448

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 580.594 | Formula: C23H27F3N2O8S2
  • H donors: 1 H acceptors: 6 LogP: 4.17 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=CN(C([C@@H]1CC(CN1S(=O)(=O)C)(C)C)CS(=O)(=O)c1ccc(cc1)Oc1ccc(cc1)OC(F)(F)F)O
  • InChi: 1S/C23H27F3N2O8S2/c1-22(2)12-20(28(14-22)37(3,31)32)21(27(30)15-29)13-38(33,34)19-10-8-17(9-11-19)35-16-4-6-18(7-5-16)36-23(24,25)26/h4-11,15,20-21,30H,12-14H2,1-3H3/t20-,21?/m0/s1
  • InChiKey: WYASJWPRGNYFKW-BGERDNNASA-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 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi ecdysone receptor 0.0043 0.0075 0.0069
Schistosoma mansoni hypothetical protein 0.0164 0.0656 0.065
Echinococcus granulosus Nuclear hormone receptor HR96 0.0043 0.0075 0.0075
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0092 0.0308 0.0299
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0121 0.045 0.045
Loa Loa (eye worm) steroid hormone receptor 0.0092 0.0308 0.0308
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0037 0.0047 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0092 0.0308 0.0302
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.014 0.0538 0.4162
Echinococcus granulosus muscleblind protein 0.0147 0.0573 0.0573
Echinococcus granulosus CD36 class B scavenger receptor 0.2113 1 1
Loa Loa (eye worm) hypothetical protein 0.2113 1 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0308 0.1346 0.1346
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0038 0.0038
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.095 0.4425 0.4425
Entamoeba histolytica hypothetical protein 0.0119 0.0437 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.01 0.01
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0096 0.0433
Brugia malayi nuclear receptor NHR-67 0.0043 0.0075 0.0069
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.0327 0.2451
Schistosoma mansoni nuclear hormone receptor 0.0043 0.0075 0.0069
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0115 0.0601
Schistosoma mansoni hypothetical protein 0.0099 0.0344 0.0338
Echinococcus granulosus ecdysone induced protein 78C 0.0092 0.0308 0.0308
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0092 0.0308 0.0302
Schistosoma mansoni hypothetical protein 0.0308 0.1346 0.1341
Brugia malayi Matrixin family protein 0.0068 0.0196 0.019
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0092 0.0308 0.0308
Trichomonas vaginalis penicillin-binding protein, putative 0.0078 0.0242 0.1707
Echinococcus granulosus lamin dm0 0.0057 0.0142 0.0142
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0072 0.0214 0.0214
Onchocerca volvulus Bile acid receptor homolog 0.0092 0.0308 0.0299
Echinococcus granulosus GPCR family 2 0.0099 0.0344 0.0344
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0092 0.0308 0.0308
Onchocerca volvulus 0.0043 0.0075 0.0067
Echinococcus granulosus peregrin 0.0029 0.0009 0.0009
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.0242 0.1707
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0009 0.0109
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0092 0.0308 0.0308
Mycobacterium tuberculosis Probable lipase LipE 0.0078 0.0242 0.0883
Loa Loa (eye worm) hypothetical protein 0.0048 0.01 0.01
Echinococcus multilocularis peregrin 0.0029 0.0009 0.0009
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0092 0.0308 0.0308
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0092 0.0308 0.0308
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0078 0.0242 0.0883
Mycobacterium ulcerans lipase LipD 0.0078 0.0242 0.1707
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0115 0.0601
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0092 0.0308 0.0308
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.014 0.0538 0.3971
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0154 0.0154
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0009 0.0009
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.019 0.0778 0.0778
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0092 0.0308 0.0308
Brugia malayi follicle stimulating hormone receptor 0.0827 0.3832 0.3829
Brugia malayi hypothetical protein 0.0048 0.0099 0.0093
Loa Loa (eye worm) hypothetical protein 0.0092 0.0308 0.0308
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0092 0.0308 0.0302
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.0078 0.0242 0.0242
Echinococcus multilocularis snurportin 1 0.0308 0.1346 0.1346
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.019 0.0778 0.0778
Trypanosoma brucei polo-like protein kinase 0.0096 0.0327 0.2508
Loa Loa (eye worm) hypothetical protein 0.0029 0.0006 0.0006
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0172 0.0693 0.0687
Mycobacterium ulcerans beta-lactamase 0.0078 0.0242 0.1707
Schistosoma mansoni jumonji domain containing protein 0.0077 0.0235 0.0229
Echinococcus multilocularis lamin dm0 0.0057 0.0142 0.0142
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.0242 0.1707
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0092 0.0308 0.0302
Plasmodium falciparum ataxin-2 like protein, putative 0.0075 0.0227 1
Entamoeba histolytica hypothetical protein 0.0119 0.0437 1
Schistosoma mansoni nuclear hormone receptor 0.0092 0.0308 0.0302
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0038 0.0038
Trypanosoma cruzi polo-like protein kinase, putative 0.0096 0.0327 0.2263
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0052 0.0115 0.0555
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0092 0.0308 0.0302
Brugia malayi hypothetical protein 0.0798 0.3695 0.3691
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.033 0.033
Brugia malayi Matrixin family protein 0.0068 0.0196 0.019
Loa Loa (eye worm) hypothetical protein 0.0057 0.0142 0.0142
Leishmania major mitochondrial DNA polymerase beta 0.0296 0.1285 1
Loa Loa (eye worm) hypothetical protein 0.2113 1 1
Echinococcus multilocularis muscleblind protein 1 0.0147 0.0573 0.0573
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0092 0.0308 0.0302
Echinococcus granulosus mitogen activated protein kinase 0.0052 0.0115 0.0115
Toxoplasma gondii ABC1 family protein 0.0078 0.0242 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0047 0.1837
Loa Loa (eye worm) hypothetical protein 0.0078 0.0242 0.0242
Trichomonas vaginalis glutaminase, putative 0.0276 0.119 1
Brugia malayi Nuclear hormone receptor-like 1 0.0048 0.01 0.0094
Loa Loa (eye worm) hypothetical protein 0.0043 0.0075 0.0075
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0092 0.0308 0.0308
Loa Loa (eye worm) glutaminase 0.0276 0.119 0.119
Echinococcus granulosus thyroid hormone receptor alpha 0.0043 0.0075 0.0075
Echinococcus multilocularis lysosome membrane protein 2 0.2113 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0092 0.0308 0.0302
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0092 0.0308 0.0302
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0009 0.0109
Brugia malayi Matrixin family protein 0.0165 0.0661 0.0655
Brugia malayi Nuclear hormone receptor E75 0.0043 0.0075 0.0069
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.0327 0.0321
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0092 0.0308 0.0308
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0043 0.0075 0.0075
Brugia malayi photoreceptor-specific nuclear receptor 0.0092 0.0308 0.0302
Schistosoma mansoni hypothetical protein 0.0099 0.0344 0.0338
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.0327 0.2451
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0043 0.0075 0.0069
Trichomonas vaginalis esterase, putative 0.0078 0.0242 0.1707
Echinococcus multilocularis beta LACTamase domain containing family member 0.0078 0.0242 0.0242
Onchocerca volvulus 0.0078 0.0242 0.0233
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.0327 0.2451
Loa Loa (eye worm) hypothetical protein 0.0043 0.0075 0.0075
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0154 0.094
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0092 0.0308 0.0308
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0078 0.0242 0.0236
Schistosoma mansoni hypothetical protein 0.0099 0.0344 0.0338
Trypanosoma cruzi PAB1-binding protein , putative 0.0075 0.0227 0.1454
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0119 0.0437 0.0437
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0096 0.0327 0.2263
Schistosoma mansoni cd36 antigen 0.0798 0.3695 0.3691
Loa Loa (eye worm) hypothetical protein 0.0078 0.0242 0.0242
Echinococcus multilocularis CD36 class B scavenger receptor 0.2113 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0075 0.0075
Echinococcus multilocularis neuropeptide s receptor 0.0555 0.2531 0.2531
Echinococcus multilocularis nuclear receptor nhr 48 0.0043 0.0075 0.0075
Schistosoma mansoni lamin 0.0057 0.0142 0.0136
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0296 0.1285 1
Echinococcus multilocularis musashi 0.0057 0.0142 0.0142
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.019 0.0778 0.0773
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0092 0.0308 0.0302
Brugia malayi Hemopexin family protein 0.0097 0.0333 0.0327
Brugia malayi Muscleblind-like protein 0.0147 0.0573 0.0567
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0092 0.0308 0.0302
Schistosoma mansoni hypothetical protein 0.0099 0.0344 0.0338
Echinococcus multilocularis muscleblind protein 0.0147 0.0573 0.0573
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.019 0.0778 0.0773
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0009 0.0009
Brugia malayi Bromodomain containing protein 0.0029 0.0009 0.0003
Brugia malayi Nuclear hormone receptor E75 0.0043 0.0075 0.0069
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0034 0.0029 0.0029
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.0115 0.0109
Onchocerca volvulus 0.0043 0.0075 0.0067
Brugia malayi hypothetical protein 0.0121 0.045 0.0444
Loa Loa (eye worm) hypothetical protein 0.0048 0.01 0.01
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0092 0.0308 0.0308
Brugia malayi conserved hypotetical protein 0.0043 0.0075 0.0069
Plasmodium falciparum phd finger protein, putative 0.0029 0.0009 0.0117
Brugia malayi nuclear receptor RXR 0.0043 0.0075 0.0069
Mycobacterium ulcerans hydrolase 0.0083 0.0267 0.1929
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0043 0.0075 0.0075
Echinococcus multilocularis GA binding protein alpha chain 0.0072 0.0214 0.0214
Loa Loa (eye worm) hypothetical protein 0.0147 0.0573 0.0573
Loa Loa (eye worm) hypothetical protein 0.0092 0.0308 0.0308
Echinococcus multilocularis mitogen activated protein kinase 3 0.0052 0.0115 0.0115
Onchocerca volvulus 0.0057 0.0142 0.0133
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0092 0.0308 0.0302
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0009 0.0003
Brugia malayi PHD-finger family protein 0.0029 0.0009 0.0003
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0043 0.0075 0.0075
Onchocerca volvulus Huntingtin homolog 0.0121 0.045 0.0442
Brugia malayi latrophilin 2 splice variant baaae 0.0215 0.0897 0.0891
Trypanosoma brucei PAB1-binding protein , putative 0.0075 0.0227 0.1724
Loa Loa (eye worm) hypothetical protein 0.0075 0.0227 0.0227
Brugia malayi nuclear hormone receptor 0.0043 0.0075 0.0069
Loa Loa (eye worm) hypothetical protein 0.005 0.011 0.011
Trypanosoma cruzi PAB1-binding protein , putative 0.0075 0.0227 0.1454
Echinococcus granulosus CD36 class B scavenger receptor 0.2113 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0092 0.0308 0.0302
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.0115 0.0555
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0499 0.2259 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0078 0.0242 0.1707
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0154 0.0486
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0043 0.0075 0.0075
Loa Loa (eye worm) beta-lactamase 0.0078 0.0242 0.0242
Brugia malayi nuclear receptor NHR-88 0.0043 0.0075 0.0069
Brugia malayi hypothetical protein 0.0075 0.0227 0.0221
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0314 0.1373 0.1373
Loa Loa (eye worm) glutaminase 2 0.0276 0.119 0.119
Brugia malayi glutaminase DH11.1 0.0276 0.119 0.1185
Loa Loa (eye worm) hypothetical protein 0.0078 0.0242 0.0242
Entamoeba histolytica hypothetical protein 0.0119 0.0437 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0154 0.094
Loa Loa (eye worm) hypothetical protein 0.2113 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0038 0.0032
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.0327 0.2451
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0048 0.01 0.01
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0078 0.0242 0.0242
Loa Loa (eye worm) MH2 domain-containing protein 0.024 0.1019 0.1019
Loa Loa (eye worm) fli-1 protein 0.0219 0.092 0.092
Brugia malayi steroid hormone receptor 0.0092 0.0308 0.0302
Loa Loa (eye worm) latrophilin receptor protein 2 0.0099 0.0344 0.0344
Echinococcus granulosus CD36 class B scavenger receptor 0.2113 1 1
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.01 0.0347 0.0341
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0052 0.0115 0.0555
Toxoplasma gondii hypothetical protein 0.0048 0.0096 0.3822
Brugia malayi Matrixin family protein 0.0068 0.0196 0.019
Loa Loa (eye worm) intermediate filament protein 0.0057 0.0142 0.0142
Onchocerca volvulus 0.0092 0.0308 0.0299
Loa Loa (eye worm) hypothetical protein 0.0215 0.0897 0.0897
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0043 0.0075 0.0075
Schistosoma mansoni transcription factor LCR-F1 0.0119 0.0437 0.0431
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0096 0.0327 0.0327
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0099 0.0344 0.0338
Schistosoma mansoni glutaminase 0.0276 0.119 0.1185
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0048 0.01 0.01
Echinococcus granulosus CD36 class B scavenger receptor 0.2113 1 1
Loa Loa (eye worm) hypothetical protein 0.0172 0.0693 0.0693
Brugia malayi nuclear hormone receptor 0.0092 0.0308 0.0302
Brugia malayi hypothetical protein 0.0043 0.0075 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0092 0.0308 0.0302
Plasmodium vivax ataxin-2 like protein, putative 0.0075 0.0227 0.9353
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.019 0.0778 0.0778
Brugia malayi beta-lactamase family protein 0.0078 0.0242 0.0236
Brugia malayi Ets-domain containing protein 0.0072 0.0214 0.0208
Echinococcus granulosus FTZ F1 alpha 0.0092 0.0308 0.0308
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0083 0.0267 0.0261
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0111 0.0516
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0092 0.0308 0.0308
Echinococcus granulosus GA binding protein alpha chain 0.0072 0.0214 0.0214
Mycobacterium ulcerans hypothetical protein 0.0078 0.0242 0.1707
Echinococcus multilocularis CD36 class B scavenger receptor 0.2113 1 1
Schistosoma mansoni nuclear receptor 0.0043 0.0075 0.0069
Loa Loa (eye worm) hypothetical protein 0.0068 0.0196 0.0196
Trichomonas vaginalis penicillin-binding protein, putative 0.0078 0.0242 0.1707
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.014 0.0538 0.3971
Schistosoma mansoni nuclear receptor nhr-48 0.0043 0.0075 0.0069
Loa Loa (eye worm) nuclear hormone receptor 0.0043 0.0075 0.0075
Echinococcus multilocularis CD36 class B scavenger receptor 0.2113 1 1
Echinococcus multilocularis mitogen activated protein kinase 0.0052 0.0115 0.0115
Onchocerca volvulus 0.0057 0.0142 0.0133
Brugia malayi jmjC domain containing protein 0.0036 0.0038 0.0032
Loa Loa (eye worm) hypothetical protein 0.0043 0.0075 0.0075
Schistosoma mansoni hypothetical protein 0.0029 0.0009 0.0003
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0067 0.0475
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0154 0.0154
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0038 0.0032
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0296 0.1285 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0078 0.0242 0.0236
Brugia malayi serine/threonine-protein kinase plk-2 0.0096 0.0327 0.0321
Echinococcus granulosus neuropeptide receptor A26 0.0555 0.2531 0.2531
Mycobacterium ulcerans glutaminase 0.0276 0.119 1
Plasmodium vivax hypothetical protein, conserved 0.0078 0.0242 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0092 0.0308 0.0308
Loa Loa (eye worm) transcription factor SMAD2 0.024 0.1019 0.1019
Loa Loa (eye worm) hypothetical protein 0.0048 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0043 0.0075 0.0075
Brugia malayi cytoplasmic intermediate filament protein 0.0031 0.0015 0.0008
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.0327 0.2451
Loa Loa (eye worm) hypothetical protein 0.0147 0.0573 0.0573
Loa Loa (eye worm) hypothetical protein 0.0048 0.01 0.01
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0092 0.0308 0.0302
Schistosoma mansoni thyroid hormone receptor 0.0092 0.0308 0.0302
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0047 0.1718
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0096 0.0433
Loa Loa (eye worm) hypothetical protein 0.0056 0.0137 0.0137
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.019 0.0778 0.0773
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0092 0.0308 0.0302
Loa Loa (eye worm) hypothetical protein 0.0092 0.0308 0.0308
Onchocerca volvulus 0.0078 0.0242 0.0233
Mycobacterium leprae PROBABLE HYDROLASE 0.0083 0.0267 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0078 0.0242 0.0242
Giardia lamblia Kinase, PLK 0.0096 0.0327 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0092 0.0308 0.0302
Mycobacterium tuberculosis Probable hydrolase 0.0078 0.0242 0.0883
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0092 0.0308 0.0308
Onchocerca volvulus Lysosome membrane protein 2 homolog 0.2113 1 1
Schistosoma mansoni hypothetical protein 0.0164 0.0656 0.065
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.019 0.0778 0.0773
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0037 0.0047 0.0047
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.0327 0.2451
Schistosoma mansoni thyroid hormone receptor 0.0092 0.0308 0.0302
Loa Loa (eye worm) nuclear receptor NHR-67 0.0043 0.0075 0.0075
Treponema pallidum exodeoxyribonuclease (exoA) 0.0037 0.0047 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.019 0.0778 0.0778
Loa Loa (eye worm) hypothetical protein 0.0798 0.3695 0.3695
Mycobacterium tuberculosis Probable esterase LipL 0.0078 0.0242 0.0883
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0078 0.0242 0.0883
Schistosoma mansoni gabp alpha 0.0072 0.0214 0.0208
Loa Loa (eye worm) hypothetical protein 0.0798 0.3695 0.3695
Leishmania major hypothetical protein, conserved 0.0075 0.0227 0.1454
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.019 0.0778 0.0778
Schistosoma mansoni ap endonuclease 0.0037 0.0047 0.0041
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0092 0.0308 0.0302
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0119 0.0437 0.0437
Toxoplasma gondii LsmAD domain-containing protein 0.0075 0.0227 0.9353
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0827 0.3832 0.3832
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0099 0.0344 0.0344
Schistosoma mansoni RAR-like nuclear receptor 0.0092 0.0308 0.0302
Schistosoma mansoni hypothetical protein 0.0034 0.0029 0.0023
Brugia malayi hypothetical protein 0.0798 0.3695 0.3691
Loa Loa (eye worm) hypothetical protein 0.0092 0.0308 0.0308
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.033 0.033
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.0242 0.1577
Loa Loa (eye worm) hypothetical protein 0.0043 0.0075 0.0075
Brugia malayi hypothetical protein 0.0048 0.01 0.0094
Brugia malayi Fli-1 protein 0.0219 0.092 0.0915
Schistosoma mansoni hypothetical protein 0.0119 0.0437 0.0431
Loa Loa (eye worm) matrix metalloproteinase 0.0068 0.0196 0.0196
Echinococcus granulosus lysosome membrane protein 2 0.2113 1 1
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0064 0.0064
Echinococcus granulosus snurportin 1 0.0308 0.1346 0.1346
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0052 0.0115 0.4632
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0154 0.0148
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0154 0.0868
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0092 0.0308 0.0308
Echinococcus multilocularis thyroid hormone receptor alpha 0.0092 0.0308 0.0308
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0052 0.0115 0.0555
Loa Loa (eye worm) hypothetical protein 0.0078 0.0242 0.0242
Schistosoma mansoni kinase 0.0049 0.0102 0.0096
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0043 0.0075 0.0075
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0154 0.094
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.0115 0.0555
Loa Loa (eye worm) hypothetical protein 0.0083 0.0267 0.0267
Schistosoma mansoni CD36-like class B scavenger receptor 0.2113 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0075 0.0075
Onchocerca volvulus Matrilysin homolog 0.0068 0.0196 0.0187
Trypanosoma brucei protein kinase, putative 0.0052 0.0115 0.0854
Loa Loa (eye worm) hypothetical protein 0.0043 0.0075 0.0075
Schistosoma mansoni ap endonuclease 0.0037 0.0047 0.0041
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0083 0.0267 0.0997
Echinococcus granulosus CD36 class B scavenger receptor 0.2113 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0075 0.0075
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0096 0.0327 0.0327
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0037 0.0047 0.0047
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0115 0.0601
Entamoeba histolytica serine/threonine protein kinase, putative 0.0096 0.0327 0.7186
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0052 0.0115 0.0854
Schistosoma mansoni CD36-like class B scavenger receptor 0.2113 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0037 0.0047 0.0041
Schistosoma mansoni ets-related 0.0219 0.092 0.0915
Brugia malayi Nuclear hormone receptor-like 1 0.0048 0.01 0.0094
Loa Loa (eye worm) hypothetical protein 0.0099 0.0344 0.0344
Schistosoma mansoni lamin 0.0057 0.0142 0.0136
Brugia malayi hypothetical protein 0.0043 0.0075 0.0069
Echinococcus multilocularis FTZ F1 alpha 0.0092 0.0308 0.0308
Plasmodium falciparum ataxin-2 like protein, putative 0.0075 0.0227 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0314 0.1373 0.1368
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0067 0.0164
Loa Loa (eye worm) DR-78 0.0043 0.0075 0.0075
Brugia malayi tailless protein 0.0043 0.0075 0.0069
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0096 0.0327 0.0327
Brugia malayi MH2 domain containing protein 0.024 0.1019 0.1014
Schistosoma mansoni hypothetical protein 0.0215 0.0897 0.0891
Loa Loa (eye worm) hypothetical protein 0.0121 0.045 0.045
Loa Loa (eye worm) hypothetical protein 0.0092 0.0308 0.0308
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0043 0.0075 0.0069
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0037 0.0047 0.0047
Brugia malayi intermediate filament protein 0.0057 0.0142 0.0136
Brugia malayi nuclear hormone receptor family member odr-7 0.0043 0.0075 0.0069
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0043 0.0075 0.0075
Brugia malayi nuclear receptor RXR 0.0048 0.01 0.0094
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0092 0.0308 0.0308
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0092 0.0308 0.0308
Toxoplasma gondii exonuclease III APE 0.0037 0.0047 0.1718
Brugia malayi ecdysteroid receptor 0.0092 0.0308 0.0302
Brugia malayi Ets-domain containing protein 0.0072 0.0214 0.0208
Brugia malayi nuclear hormone receptor family member nhr-6 0.0043 0.0075 0.0069
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0048 0.01 0.01
Schistosoma mansoni zinc finger protein 0.0043 0.0075 0.0069
Echinococcus multilocularis neuropeptide receptor A26 0.0555 0.2531 0.2531
Onchocerca volvulus Huntingtin homolog 0.0121 0.045 0.0442
Echinococcus multilocularis ecdysone induced protein 78C 0.0092 0.0308 0.0308
Brugia malayi Intermediate filament tail domain containing protein 0.0057 0.0142 0.0136
Schistosoma mansoni nuclear receptor 0.0043 0.0075 0.0069
Schistosoma mansoni hypothetical protein 0.0097 0.0333 0.0327
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0092 0.0308 0.0308
Loa Loa (eye worm) hypothetical protein 0.0043 0.0075 0.0075
Giardia lamblia Kinase, CMGC MAPK 0.0052 0.0115 0.3351
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0009 0.0109
Schistosoma mansoni steroid hormone receptor ad4bp 0.0092 0.0308 0.0302
Schistosoma mansoni scavenger receptor class B type-2 (sr-B2) 0.2113 1 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0067 0.0164
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0115 0.0601
Echinococcus granulosus geminin 0.0164 0.0656 0.0656
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0092 0.0308 0.0308
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0052 0.0115 0.0555
Leishmania major hypothetical protein, conserved 0.0078 0.0242 0.1577
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0043 0.0075 0.0075
Brugia malayi beta-lactamase 0.0078 0.0242 0.0236
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0099 0.0344 0.0344
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0048 0.01 0.0094
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0037 0.0047 0.1192
Brugia malayi orphan nuclear receptor NR2E1 0.0043 0.0075 0.0069
Echinococcus granulosus neuropeptide s receptor 0.0555 0.2531 0.2531
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0006 0.0006
Echinococcus granulosus nuclear receptor nhr 48 0.0043 0.0075 0.0075
Trypanosoma brucei hypothetical protein, conserved 0.0078 0.0242 0.1843
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0092 0.0308 0.0302
Schistosoma mansoni coup transcription factor 0.0092 0.0308 0.0302
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.0327 0.2451
Echinococcus multilocularis CD36 class B scavenger receptor 0.2113 1 1
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0154 0.6278
Echinococcus multilocularis lamin 0.0057 0.0142 0.0142
Loa Loa (eye worm) hypothetical protein 0.0043 0.0075 0.0075
Brugia malayi Nuclear hormone receptor-like 1 0.0092 0.0308 0.0302
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.0242 0.1707
Mycobacterium tuberculosis Conserved protein 0.0078 0.0242 0.0883
Onchocerca volvulus 0.0078 0.0242 0.0233
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0048 0.01 0.0094
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0068 0.0196 0.019
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0092 0.0308 0.0302
Loa Loa (eye worm) hypothetical protein 0.0092 0.0308 0.0308
Loa Loa (eye worm) hypothetical protein 0.0092 0.0308 0.0308
Loa Loa (eye worm) hypothetical protein 0.0068 0.0196 0.0196
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0092 0.0308 0.0302
Loa Loa (eye worm) hypothetical protein 0.0043 0.0075 0.0075
Echinococcus granulosus lamin 0.0057 0.0142 0.0142
Mycobacterium tuberculosis Conserved protein 0.0078 0.0242 0.0883
Brugia malayi Steroid receptor seven-up type 2 0.0092 0.0308 0.0302
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0078 0.0242 0.0883
Brugia malayi hypothetical protein 0.0119 0.0437 0.0431
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0034 0.0029 0.0029
Brugia malayi nuclear receptor NHR-88 0.0092 0.0308 0.0302
Mycobacterium ulcerans hypothetical protein 0.0156 0.0614 0.4963
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0043 0.0075 0.0069
Onchocerca volvulus Protein ultraspiracle homolog 0.0092 0.0308 0.0299
Mycobacterium ulcerans esterase/lipase LipP 0.0078 0.0242 0.1707
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0037 0.0047 0.0317
Echinococcus granulosus mitogen activated protein kinase 3 0.0052 0.0115 0.0115
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0009 0.0009
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0043 0.0075 0.0067
Echinococcus multilocularis GPCR, family 2 0.0099 0.0344 0.0344
Mycobacterium tuberculosis Probable lipase LipD 0.0078 0.0242 0.0883
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0057 0.0142 0.0142
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0154 0.0148
Loa Loa (eye worm) hypothetical protein 0.0043 0.0075 0.0075
Brugia malayi jmjC domain containing protein 0.0096 0.033 0.0324
Trypanosoma cruzi polo-like protein kinase, putative 0.0096 0.0327 0.2263
Loa Loa (eye worm) hypothetical protein 0.0798 0.3695 0.3695
Mycobacterium tuberculosis Conserved hypothetical protein 0.0156 0.0614 0.2566
Trichomonas vaginalis conserved hypothetical protein 0.0167 0.067 0.5449
Entamoeba histolytica hypothetical protein 0.0119 0.0437 1
Loa Loa (eye worm) hypothetical protein 0.0314 0.1373 0.1373
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0099 0.0344 0.0344
Brugia malayi RNA, U transporter 1 0.0082 0.0262 0.0256
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0159 0.0159
Echinococcus multilocularis geminin 0.0164 0.0656 0.0656
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0052 0.0115 0.0115
Loa Loa (eye worm) matrixin family protein 0.0165 0.0661 0.0661
Echinococcus granulosus importin subunit beta 1 0.0029 0.0006 0.0006
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.0242 0.1577
Onchocerca volvulus 0.0097 0.0333 0.0324
Brugia malayi beta-lactamase family protein 0.0078 0.0242 0.0236
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0043 0.0075 0.0067
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0314 0.1373 0.1368
Brugia malayi MAP kinase sur-1 0.0052 0.0115 0.0109
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0249 0.1061 0.1061
Echinococcus multilocularis CD36 class B scavenger receptor 0.2113 1 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0096 0.0327 0.0319
Onchocerca volvulus Matrilysin homolog 0.0152 0.0595 0.0587
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0078 0.0242 0.0236
Loa Loa (eye worm) hypothetical protein 0.0092 0.0308 0.0308
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0067 0.0164
Loa Loa (eye worm) hypothetical protein 0.0078 0.0242 0.0242
Schistosoma mansoni intermediate filament proteins 0.0057 0.0142 0.0136
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0031 0.0015 0.0015
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0099 0.0344 0.0344
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0249 0.1061 0.1061
Loa Loa (eye worm) hypothetical protein 0.0062 0.0164 0.0164
Brugia malayi Latrophilin receptor protein 2 0.0099 0.0344 0.0338
Echinococcus granulosus Nuclear hormone receptor HR96 0.0043 0.0075 0.0075
Echinococcus granulosus intermediate filament protein 0.0057 0.0142 0.0142
Schistosoma mansoni nuclear hormone receptor 0.0043 0.0075 0.0069
Brugia malayi hypothetical protein 0.0048 0.01 0.0094
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0092 0.0308 0.0308
Onchocerca volvulus Matrix metalloproteinase homolog 0.0152 0.0595 0.0587
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0296 0.1285 1
Onchocerca volvulus 0.0068 0.0196 0.0187
Loa Loa (eye worm) matrixin family protein 0.0152 0.0595 0.0595
Loa Loa (eye worm) hypothetical protein 0.0029 0.0009 0.0009
Mycobacterium tuberculosis Conserved protein 0.0078 0.0242 0.0883
Loa Loa (eye worm) hypothetical protein 0.0068 0.0196 0.0196
Brugia malayi Matrixin family protein 0.0068 0.0196 0.019

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2 nM Inhibition of MMP9 ChEMBL. 24900330

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

Bibliographic References

1 literature reference was collected for this gene.

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