Detailed information for compound 142828

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 446.492 | Formula: C22H23FN2O5S
  • H donors: 3 H acceptors: 5 LogP: 2.77 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)CC(C(=O)NCC(=O)N1[C@@H](CC[C@@H]1c1cccc(c1)O)C(=O)O)S
  • InChi: 1S/C22H23FN2O5S/c23-15-6-4-13(5-7-15)10-19(31)21(28)24-12-20(27)25-17(8-9-18(25)22(29)30)14-2-1-3-16(26)11-14/h1-7,11,17-19,26,31H,8-10,12H2,(H,24,28)(H,29,30)/t17-,18+,19?/m1/s1
  • InChiKey: MSNIEXCUVQMNJE-YTYFACEESA-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

Species Target name Source Bibliographic reference
Rattus norvegicus Angiotensin-converting enzyme Starlite/ChEMBL References
Oryctolagus cuniculus Neprilysin Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) peptidase family M13 containing protein Get druggable targets OG5_127344 All targets in OG5_127344
Schistosoma japonicum ko:K01415 endothelin-converting enzyme [EC3.4.24.71], putative Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Schistosoma japonicum IPR000718,Peptidase M13, neprilysin,domain-containing Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Brugia malayi Angiotensin-converting enzyme family protein Get druggable targets OG5_131988 All targets in OG5_131988
Loa Loa (eye worm) angiotensin-converting enzyme family protein Get druggable targets OG5_131988 All targets in OG5_131988
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Echinococcus granulosus endothelin converting enzyme 1 Get druggable targets OG5_127344 All targets in OG5_127344
Schistosoma mansoni family M13 unassigned peptidase (M13 family) Get druggable targets OG5_127344 All targets in OG5_127344
Brugia malayi Peptidase family M13 containing protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Toxoplasma gondii peptidase family M13 protein Get druggable targets OG5_127344 All targets in OG5_127344
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 Get druggable targets OG5_127344 All targets in OG5_127344
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Onchocerca volvulus Get druggable targets OG5_127344 All targets in OG5_127344
Echinococcus multilocularis endothelin converting enzyme 1 Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Mycobacterium ulcerans zinc metalloprotease Get druggable targets OG5_127344 All targets in OG5_127344
Neospora caninum hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Mycobacterium leprae probable zinc metalloprotease Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) peptidase family M13 containing protein Get druggable targets OG5_127344 All targets in OG5_127344
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Neprilysin   750 aa 713 aa 33.7 %
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) Neprilysin   750 aa 773 aa 20.7 %
Onchocerca volvulus Neprilysin   750 aa 682 aa 31.4 %
Schistosoma japonicum Endothelin-converting enzyme 2, putative Neprilysin   750 aa 787 aa 21.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus high voltage activated calcium channel beta 0.007 0.0454 0.0797
Loa Loa (eye worm) hypothetical protein 0.0063 0.0383 0.0397
Treponema pallidum ribonuclease H (rnhA) 0.0098 0.0783 0.5
Schistosoma mansoni MAGUK homolog 0.0084 0.0617 0.0617
Chlamydia trachomatis guanylate kinase 0.007 0.0454 0.5
Mycobacterium ulcerans zinc metalloprotease 0.0114 0.0962 0.2216
Schistosoma mansoni hypothetical protein 0.0143 0.1293 0.1293
Plasmodium falciparum guanylate kinase 0.007 0.0454 0.069
Brugia malayi aspartic protease BmAsp-2, identical 0.0063 0.0383 0.0397
Brugia malayi ZU5 domain containing protein 0.007 0.0454 0.0485
Echinococcus granulosus 55 kDa erythrocyte membrane protein 0.0084 0.0617 0.1126
Loa Loa (eye worm) latrophilin receptor protein 2 0.0063 0.0375 0.0388
Giardia lamblia Ribonuclease H 0.0098 0.0783 0.5032
Loa Loa (eye worm) lethal(1)discs large-1 tumor suppressor 0.024 0.2402 0.2876
Loa Loa (eye worm) hypothetical protein 0.0086 0.0645 0.0719
Trypanosoma brucei hypothetical protein, conserved 0.0107 0.0879 0.1243
Brugia malayi Peripheral plasma membrane protein CASK 0.011 0.0913 0.1048
Loa Loa (eye worm) integrin beta-2 0.0309 0.3185 0.3837
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.027 0.2747 1
Echinococcus multilocularis protein dispatched 1 0.0111 0.0931 0.1754
Trypanosoma brucei RNA helicase, putative 0.0369 0.3872 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0111 0.0931 0.107
Plasmodium vivax guanylate kinase, putative 0.007 0.0454 0.069
Schistosoma mansoni hypothetical protein 0.0063 0.0375 0.0375
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0114 0.0962 0.0962
Brugia malayi hypothetical protein 0.0143 0.1293 0.1515
Echinococcus granulosus sterol regulatory element binding protein 0.0111 0.0931 0.176
Schistosoma mansoni phosphoglucomutase 0.0098 0.0783 0.0783
Loa Loa (eye worm) hypothetical protein 0.0084 0.0622 0.0691
Schistosoma mansoni hypothetical protein 0.0369 0.3872 0.3872
Echinococcus multilocularis disks large 1 0.007 0.0454 0.0795
Brugia malayi abnormal cell lineage protein 2 0.007 0.0454 0.0485
Brugia malayi hypothetical protein 0.0047 0.0196 0.0168
Loa Loa (eye worm) hypothetical protein 0.0111 0.0931 0.107
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0154 0.1417 0.2739
Echinococcus granulosus high voltage activated calcium channel beta 0.007 0.0454 0.0797
Trichomonas vaginalis discs large, putative 0.007 0.0454 0.3011
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0063 0.0383 0.0383
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0098 0.0783 1
Trichomonas vaginalis ribonuclease H1, putative 0.0098 0.0783 0.5402
Echinococcus granulosus MAGUK p55 subfamily 0.0084 0.0617 0.1126
Loa Loa (eye worm) hypothetical protein 0.0439 0.4673 0.5662
Loa Loa (eye worm) peptidase family M13 containing protein 0.0084 0.0622 0.0691
Echinococcus granulosus ribonuclease H1 0.0098 0.0783 0.1462
Loa Loa (eye worm) hypothetical protein 0.0086 0.0645 0.0719
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0198 0.1919 0.2282
Schistosoma mansoni maguk P55 subfamily member 35 0.0084 0.0617 0.0617
Brugia malayi RNase H family protein 0.0098 0.0783 0.0889
Echinococcus granulosus MAGUK p55 subfamily 0.0084 0.0617 0.1126
Echinococcus multilocularis disks large 3 0.0254 0.2565 0.5042
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0114 0.0962 0.1108
Schistosoma mansoni membrane associated guanylate kinase inverted related 0.0084 0.0617 0.0617
Trichomonas vaginalis guanylate kinase, putative 0.007 0.0454 0.3011
Plasmodium falciparum plasmepsin VI 0.0154 0.1417 1
Echinococcus granulosus Niemann Pick C1 protein 0.0111 0.0931 0.176
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0063 0.0383 0.0383
Schistosoma mansoni integrin beta subunit 0.0182 0.1736 0.1736
Loa Loa (eye worm) hypothetical protein 0.0114 0.0962 0.1108
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0063 0.0383 0.0383
Schistosoma mansoni MAGUK homolog 0.0084 0.0617 0.0617
Echinococcus multilocularis protein patched 0.0111 0.0931 0.1754
Echinococcus multilocularis high voltage activated calcium channel beta 0.007 0.0454 0.0795
Echinococcus granulosus peripheral plasma membrane protein CASK 0.0084 0.0617 0.1126
Echinococcus multilocularis endothelin converting enzyme 1 0.0114 0.0962 0.1817
Trypanosoma brucei ribonuclease H1 0.0098 0.0783 0.0963
Trypanosoma brucei unspecified product 0.0107 0.0879 0.1243
Echinococcus granulosus GPCR family 2 0.0063 0.0375 0.0637
Echinococcus granulosus kelch ECH associated protein 1 like 0.0469 0.5014 1
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.027 0.2747 1
Onchocerca volvulus 0.0056 0.0305 0.3214
Trypanosoma brucei ingi protein (ORF1) 0.0107 0.0879 0.1243
Brugia malayi hypothetical protein 0.0063 0.0383 0.0397
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0154 0.1417 0.2731
Loa Loa (eye worm) hypothetical protein 0.007 0.0454 0.0485
Loa Loa (eye worm) aspartyl protease 6 0.0063 0.0383 0.0397
Echinococcus multilocularis MAGUK p55 subfamily 0.0084 0.0617 0.1122
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0058 0.0317 0.0317
Schistosoma mansoni maguk P55 subfamily member 26 0.0084 0.0617 0.0617
Brugia malayi RNase H family protein 0.0098 0.0783 0.0889
Loa Loa (eye worm) hypothetical protein 0.0084 0.0622 0.0691
Echinococcus granulosus integrin beta 2 0.0229 0.2272 0.4465
Brugia malayi Pepsin A precursor 0.0063 0.0383 0.0397
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0114 0.0962 1
Schistosoma mansoni hypothetical protein 0.0063 0.0375 0.0375
Onchocerca volvulus 0.0063 0.0383 0.4079
Loa Loa (eye worm) hypothetical protein 0.0114 0.0962 0.1108
Loa Loa (eye worm) hypothetical protein 0.0154 0.1417 0.1666
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0154 0.1417 0.1417
Brugia malayi Eukaryotic aspartyl protease family protein 0.0063 0.0383 0.0397
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0143 0.1293 0.2491
Echinococcus multilocularis 0.0084 0.0617 0.1122
Loa Loa (eye worm) hypothetical protein 0.0114 0.0962 0.1108
Brugia malayi Guanylate kinase family protein 0.007 0.0454 0.0485
Schistosoma mansoni phosphoglucomutase 0.0098 0.0783 0.0783
Plasmodium falciparum plasmepsin II 0.0154 0.1417 1
Echinococcus multilocularis MAGUK p55 subfamily 0.0084 0.0617 0.1122
Brugia malayi Integrin beta pat-3 precursor 0.0309 0.3185 0.3837
Schistosoma mansoni maguk P55 subfamily member 26 0.007 0.0454 0.0454
Schistosoma mansoni cell polarity protein 0.0254 0.2565 0.2565
Brugia malayi aspartic protease BmAsp-1, identical 0.0063 0.0383 0.0397
Schistosoma mansoni hypothetical protein 0.0063 0.0375 0.0375
Onchocerca volvulus Ribonuclease H1 homolog 0.0098 0.0783 0.8549
Trichomonas vaginalis conserved hypothetical protein 0.0111 0.0931 0.6475
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0198 0.1919 0.2282
Loa Loa (eye worm) guanylate kinase 0.007 0.0454 0.0485
Schistosoma mansoni high voltage-activated calcium channel beta subunit 2 0.007 0.0454 0.0454
Loa Loa (eye worm) peptidase family M13 containing protein 0.0084 0.0622 0.0691
Loa Loa (eye worm) peripheral plasma membrane protein CASK 0.0084 0.0617 0.0685
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0127 0.1108 0.7763
Brugia malayi Peptidase family M13 containing protein 0.0114 0.0962 0.1108
Trichomonas vaginalis sap-102, putative 0.007 0.0454 0.3011
Leishmania major ribonuclease H1, putative 0.0098 0.0783 0.1436
Echinococcus multilocularis 55 kDa erythrocyte membrane protein 0.0084 0.0617 0.1122
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0063 0.0383 0.0397
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0058 0.0317 0.0317
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0058 0.0317 0.0317
Schistosoma mansoni phosphoglucomutase 0.0098 0.0783 0.0783
Schistosoma mansoni patched 1 0.0111 0.0931 0.0931
Schistosoma mansoni cathepsin D (A01 family) 0.0246 0.2472 0.2472
Trypanosoma cruzi ribonuclease H1, putative 0.0098 0.0783 0.1436
Toxoplasma gondii guanylate kinase family protein 0.007 0.0454 0.069
Toxoplasma gondii aspartyl protease ASP1 0.0154 0.1417 1
Echinococcus granulosus endothelin converting enzyme 1 0.0114 0.0962 0.1822
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0063 0.0375 0.0635
Trichomonas vaginalis calcium/calmodulin-dependent serine protein kinase membrane-associated guanylate kinase, putative 0.007 0.0454 0.3011
Onchocerca volvulus 0.011 0.0913 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.0645 0.0719
Loa Loa (eye worm) voltage-dependent calcium channel beta 2a subunit 0.007 0.0454 0.0485
Toxoplasma gondii peptidase family M13 protein 0.0114 0.0962 0.5605
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0127 0.1108 0.7763
Schistosoma mansoni neprilysin-2 (M13 family) 0.0058 0.0317 0.0317
Loa Loa (eye worm) hypothetical protein 0.0047 0.0196 0.0168
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0035 0.0059 0.0143
Onchocerca volvulus 0.0063 0.0383 0.4079
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0058 0.0317 0.0317
Loa Loa (eye worm) hypothetical protein 0.0084 0.0617 0.0685
Schistosoma mansoni cell polarity protein 0.0096 0.0751 0.0751
Toxoplasma gondii ribonuclease HI protein 0.0098 0.0783 0.3875
Echinococcus multilocularis integrin beta 2 0.0229 0.2272 0.4452
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0035 0.0059 0.0143
Echinococcus multilocularis kelch ECH associated protein 1 0.0469 0.5014 0.997
Brugia malayi Guanylate kinase family protein 0.0084 0.0617 0.0685
Loa Loa (eye worm) hypothetical protein 0.0086 0.0645 0.0719
Schistosoma mansoni high voltage-activated calcium channel beta subunit 1 0.007 0.0454 0.0454
Echinococcus multilocularis peripheral plasma membrane protein CASK 0.0084 0.0617 0.1122
Loa Loa (eye worm) guanylate kinase 0.0084 0.0617 0.0685
Schistosoma mansoni hypothetical protein 0.0135 0.1204 0.1204
Loa Loa (eye worm) hypothetical protein 0.0086 0.0645 0.0719
Schistosoma mansoni transcription factor LCR-F1 0.0143 0.1293 0.1293
Loa Loa (eye worm) hypothetical protein 0.0135 0.1204 0.1405
Entamoeba histolytica hypothetical protein 0.0143 0.1293 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0063 0.0383 0.0383
Brugia malayi latrophilin 2 splice variant baaae 0.0135 0.1204 0.1405
Loa Loa (eye worm) hypothetical protein 0.0056 0.0305 0.0302
Plasmodium falciparum plasmepsin IV 0.0154 0.1417 1
Schistosoma mansoni mannosidase endo-alpha 0.007 0.0454 0.0454
Loa Loa (eye worm) hypothetical protein 0.0063 0.0375 0.0388
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.027 0.2747 0.2747
Echinococcus granulosus membrane associated guanylate kinase ww and pdz 0.0084 0.0617 0.1126
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.027 0.2747 0.3299
Plasmodium falciparum plasmepsin I 0.0154 0.1417 1
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0127 0.1108 0.7763
Loa Loa (eye worm) hypothetical protein 0.007 0.0454 0.0485
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0749 0.8207 1
Entamoeba histolytica hypothetical protein 0.0143 0.1293 1
Loa Loa (eye worm) hypothetical protein 0.027 0.2747 0.3299
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.027 0.2747 0.5408
Echinococcus multilocularis MAGUK p55 subfamily 0.0084 0.0617 0.1122
Loa Loa (eye worm) hypothetical protein 0.0063 0.0383 0.0397
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0154 0.1417 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0063 0.0375 0.0635
Brugia malayi Calcitonin receptor-like protein seb-1 0.0198 0.1919 0.2282
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0127 0.1108 1
Echinococcus multilocularis guanylate kinase 0.007 0.0454 0.0795
Brugia malayi CHE-14 protein 0.0111 0.0931 0.107
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.027 0.2747 0.5425
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0154 0.1417 0.1666
Mycobacterium leprae probable zinc metalloprotease 0.0114 0.0962 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0622 0.0691
Echinococcus granulosus disks large 3 0.0254 0.2565 0.5058
Loa Loa (eye worm) hypothetical protein 0.0439 0.4673 0.5662
Schistosoma mansoni replication factor A 1 rfa1 0.0035 0.0059 0.0059
Schistosoma mansoni ATP-dependent RNA Helicase 0.0084 0.0617 0.0617
Brugia malayi Latrophilin receptor protein 2 0.0063 0.0375 0.0388
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.027 0.2747 1
Echinococcus granulosus disks large 1 0.007 0.0454 0.0797
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0063 0.0375 0.0388
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.027 0.2747 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0063 0.0383 0.0383
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0154 0.1417 1
Echinococcus multilocularis guanylate kinase 0.007 0.0454 0.0795
Loa Loa (eye worm) hypothetical protein 0.007 0.0454 0.0485
Brugia malayi hypothetical protein 0.0063 0.0383 0.0397
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0063 0.0383 0.0383
Brugia malayi Kelch motif family protein 0.0047 0.0196 0.0168
Echinococcus multilocularis Niemann Pick C1 protein 0.0111 0.0931 0.1754
Echinococcus multilocularis GPCR, family 2 0.0063 0.0375 0.0635
Schistosoma mansoni hypothetical protein 0.0063 0.0375 0.0375
Echinococcus granulosus guanylate kinase 0.007 0.0454 0.0797
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0063 0.0383 0.0383
Brugia malayi RNase H family protein 0.0098 0.0783 0.0889
Brugia malayi hypothetical protein 0.007 0.0454 0.0485
Loa Loa (eye worm) hypothetical protein 0.0086 0.0645 0.0719
Brugia malayi guanylate kinase 0.007 0.0454 0.0485
Entamoeba histolytica hypothetical protein 0.0143 0.1293 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0063 0.0375 0.0637
Schistosoma mansoni hypothetical protein 0.047 0.5029 0.5029
Echinococcus granulosus kelch ECH associated protein 1 0.0469 0.5014 1
Brugia malayi Angiotensin-converting enzyme family protein 0.0749 0.8207 1
Echinococcus multilocularis ribonuclease H1 0.0098 0.0783 0.1457
Echinococcus granulosus MAGUK p55 subfamily 0.0084 0.0617 0.1126
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0063 0.0375 0.0637
Echinococcus granulosus kelch ECH associated protein 1 like 0.0469 0.5014 1
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0107 0.0879 0.1243
Trypanosoma cruzi ribonuclease H1, putative 0.0098 0.0783 0.1436
Loa Loa (eye worm) hypothetical protein 0.0084 0.0622 0.0691
Echinococcus granulosus guanylate kinase 0.007 0.0454 0.0797
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0063 0.0383 0.0383
Brugia malayi Guanylate kinase family protein 0.028 0.2862 0.344
Echinococcus multilocularis sterol regulatory element binding protein 0.0111 0.0931 0.1754
Loa Loa (eye worm) hypothetical protein 0.0198 0.1919 0.2282
Plasmodium vivax plasmepsin IV, putative 0.0154 0.1417 1
Echinococcus multilocularis kelch ECH associated protein 1 0.0469 0.5014 0.997
Trypanosoma brucei ingi protein (ORF1) 0.0107 0.0879 0.1243
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0047 0.0196 0.0168
Entamoeba histolytica hypothetical protein 0.0143 0.1293 1
Schistosoma mansoni guanylate kinase 0.007 0.0454 0.0454
Schistosoma mansoni cathepsin D (A01 family) 0.0246 0.2472 0.2472
Brugia malayi Voltage-dependent L-type calcium channel beta-2 subunit 0.007 0.0454 0.0485
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0111 0.0931 0.0931
Echinococcus multilocularis high voltage activated calcium channel beta 0.007 0.0454 0.0795
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0143 0.1293 0.2484
Plasmodium vivax aspartyl proteinase, putative 0.0154 0.1417 1
Echinococcus multilocularis Kelch repeat type 1 0.047 0.5029 1
Echinococcus granulosus Protein patched homolog 1 0.0111 0.0931 0.176
Loa Loa (eye worm) guanylate kinase 0.0211 0.2068 0.2465
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.027 0.2747 0.6709

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.8 nM In vitro inhibition of rat angiotensin I converting enzyme ChEMBL. 8691458
IC50 (binding) = 3.8 nM In vitro inhibition of rat angiotensin I converting enzyme ChEMBL. 8691458
IC50 (binding) = 5.3 nM In vitro inhibition of neutral endopeptidase ChEMBL. 8691458
IC50 (binding) = 5.3 nM In vitro inhibition of neutral endopeptidase ChEMBL. 8691458

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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