Detailed information for compound 85385

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 876.049 | Formula: C46H65N7O10
  • H donors: 8 H acceptors: 9 LogP: 5.7 Rotable bonds: 30
    Rule of 5 violations (Lipinski): 3
  • SMILES: CC(C[C@@H](C(=O)NCc1cccc(c1)OCC(=O)O)NC(=O)CC(C(NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1nc[nH]c1)CC1CCCCC1)O)C
  • InChi: 1S/C46H65N7O10/c1-29(2)19-36(42(58)48-25-32-17-12-18-34(20-32)62-27-41(56)57)50-40(55)24-39(54)35(21-30-13-8-6-9-14-30)51-44(60)38(23-33-26-47-28-49-33)52-43(59)37(22-31-15-10-7-11-16-31)53-45(61)63-46(3,4)5/h7,10-12,15-18,20,26,28-30,35-39,54H,6,8-9,13-14,19,21-25,27H2,1-5H3,(H,47,49)(H,48,58)(H,50,55)(H,51,60)(H,52,59)(H,53,61)(H,56,57)/t35?,36-,37-,38-,39?/m0/s1
  • InChiKey: ZJJUSDDGRAFRNF-WRVQWQNJSA-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
Homo sapiens renin Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Cathepsin D precursor, putative Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma mansoni cathepsin D (A01 family) Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium vivax aspartyl proteinase, putative Get druggable targets OG5_126885 All targets in OG5_126885
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126885 All targets in OG5_126885
Neospora caninum Renin, related Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium knowlesi aspartyl protease, putative Get druggable targets OG5_126885 All targets in OG5_126885
Theileria parva pepsinogen, putative Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) Get druggable targets OG5_126885 All targets in OG5_126885
Cryptosporidium parvum membrane bound aspartyl proteinase with a signal peptide plus transmembrane domain Get druggable targets OG5_126885 All targets in OG5_126885
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) Get druggable targets OG5_126885 All targets in OG5_126885
Neospora caninum Pepsinogen A1, related Get druggable targets OG5_126885 All targets in OG5_126885
Candida albicans vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C) Get druggable targets OG5_126885 All targets in OG5_126885
Loa Loa (eye worm) aspartic protease BmAsp-2 Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium vivax plasmepsin IV, putative Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma japonicum ko:K01379 cathepsin D [EC3.4.23.5], putative Get druggable targets OG5_126885 All targets in OG5_126885
Cryptosporidium hominis aspartyl protease precursor Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium yoelii plasmepsin Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium knowlesi plasmepsin IV, putative Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium berghei plasmepsin VI Get druggable targets OG5_126885 All targets in OG5_126885
Babesia bovis eukaryotic aspartyl protease family protein Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma mansoni cathepsin D (A01 family) Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium berghei plasmepsin IV Get druggable targets OG5_126885 All targets in OG5_126885
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase Get druggable targets OG5_126885 All targets in OG5_126885
Toxoplasma gondii aspartyl proteinase (eimepsin), putative Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium falciparum plasmepsin II Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium falciparum plasmepsin VI Get druggable targets OG5_126885 All targets in OG5_126885
Toxoplasma gondii aspartyl protease ASP1 Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium falciparum plasmepsin IV Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium yoelii hypothetical protein Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium yoelii hypothetical protein Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium falciparum plasmepsin I Get druggable targets OG5_126885 All targets in OG5_126885
Candida albicans vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C) Get druggable targets OG5_126885 All targets in OG5_126885
Echinococcus granulosus cathepsin d lysosomal aspartyl protease Get druggable targets OG5_126885 All targets in OG5_126885
Theileria parva cathepsin E, putative Get druggable targets OG5_126885 All targets in OG5_126885
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum plasmepsin X renin 406 aa 352 aa 26.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni cathepsin D (A01 family) 0.0174 0.1672 0.7448
Giardia lamblia Lysyl-tRNA synthetase 0.0051 0.0388 0.5182
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0032 0.019 0.5
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.007 0.0587 0.0888
Toxoplasma gondii sugar transporter ST2 0.0032 0.019 0.0288
Onchocerca volvulus 0.0032 0.019 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.007 0.0586 0.1927
Loa Loa (eye worm) hypothetical protein 0.0069 0.0571 0.2546
Schistosoma mansoni cathepsin D (A01 family) 0.0174 0.1672 0.7448
Echinococcus multilocularis lysyl tRNA synthetase 0.0051 0.0388 0.0961
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0051 0.0388 1
Toxoplasma gondii aspartyl protease ASP1 0.0059 0.0471 0.0712
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.007 0.0586 0.2612
Brugia malayi hypothetical protein 0.0032 0.019 0.0848
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0069 0.0571 0.2546
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.007 0.0587 0.0587
Brugia malayi Sugar transporter family protein 0.0032 0.019 0.0848
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0051 0.0388 0.3046
Echinococcus multilocularis calcium dependent protein kinase 0.0066 0.0541 0.1707
Echinococcus granulosus calcium dependent protein kinase 0.0066 0.0541 0.1707
Plasmodium falciparum calcium-dependent protein kinase 3 0.007 0.0587 0.0587
Plasmodium falciparum calcium-dependent protein kinase 1 0.007 0.0587 0.0587
Onchocerca volvulus 0.0032 0.019 1
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.007 0.0587 0.0888
Plasmodium vivax calcium-dependent protein kinase, putative 0.007 0.0587 0.0587
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0059 0.0471 0.2097
Entamoeba histolytica protein kinase, putative 0.007 0.0586 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0229 0.2245 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0069 0.0571 0.2546
Loa Loa (eye worm) major facilitator superfamily transporter 0.0032 0.019 0.0848
Loa Loa (eye worm) hypothetical protein 0.0032 0.019 0.0848
Schistosoma mansoni sugar transporter 0.0032 0.019 0.0848
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0059 0.0471 0.1365
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.0032 0.019 0.019
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.007 0.0586 0.1927
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0043 0.0307 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.019 0.0848
Schistosoma mansoni glucose transporter 0.0032 0.019 0.0848
Trypanosoma cruzi hexose transporter, putative 0.0071 0.0596 0.8107
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0043 0.0307 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.019 0.0848
Brugia malayi Sugar transporter family protein 0.0032 0.019 0.0848
Trypanosoma brucei glucose transporter 1E 0.0071 0.0596 0.8107
Onchocerca volvulus 0.0032 0.019 1
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0069 0.0571 0.9253
Leishmania major glucose transporter, lmgt2 0.0071 0.0596 0.8107
Toxoplasma gondii lysine-tRNA ligase 0.0051 0.0388 0.0587
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.007 0.0587 0.0587
Onchocerca volvulus 0.0032 0.019 1
Trypanosoma brucei glucose transporter, putative 0.0071 0.0596 0.8107
Onchocerca volvulus 0.0032 0.019 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.019 0.0848
Plasmodium falciparum plasmepsin II 0.0059 0.0471 0.0471
Loa Loa (eye worm) hypothetical protein 0.0032 0.019 0.0848
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0229 0.2245 1
Plasmodium falciparum proline--tRNA ligase 0.008 0.069 0.069
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0051 0.0388 0.395
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0069 0.0571 0.1855
Loa Loa (eye worm) hypothetical protein 0.0056 0.0437 0.1946
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0059 0.0471 0.2097
Loa Loa (eye worm) hypothetical protein 0.0032 0.019 0.0848
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.008 0.069 0.1045
Loa Loa (eye worm) hypothetical protein 0.0032 0.019 0.0848
Plasmodium vivax CDK-related protein kinase 6, putative 0.0971 1 1
Plasmodium falciparum plasmepsin VI 0.0059 0.0471 0.0471
Trypanosoma cruzi hexose transporter 0.0071 0.0596 0.8107
Schistosoma mansoni hypothetical protein 0.0229 0.2245 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.007 0.0586 0.1927
Loa Loa (eye worm) hypothetical protein 0.0032 0.019 0.0848
Loa Loa (eye worm) hypothetical protein 0.0032 0.019 0.0848
Plasmodium falciparum plasmepsin IV 0.0059 0.0471 0.0471
Trypanosoma brucei glucose transporter, putative 0.0071 0.0596 0.8107
Loa Loa (eye worm) hypothetical protein 0.0032 0.019 0.0848
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0032 0.019 0.0848
Echinococcus multilocularis General substrate transporter 0.0197 0.1909 0.8364
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0596 0.1973
Trypanosoma brucei glucose transporter, putative 0.0071 0.0596 0.8107
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.007 0.0587 0.0587
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.007 0.0586 0.2612
Brugia malayi Sugar transporter family protein 0.0229 0.2245 1
Trichomonas vaginalis sugar transporter, putative 0.0071 0.0596 0.1973
Toxoplasma gondii sugar transporter ST1 0.0032 0.019 0.0288
Onchocerca volvulus 0.0032 0.019 1
Trypanosoma brucei glucose transporter, putative 0.0071 0.0596 0.8107
Plasmodium falciparum plasmepsin I 0.0059 0.0471 0.0471
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0596 0.1973
Plasmodium falciparum calcium-dependent protein kinase 2 0.007 0.0587 0.0587
Loa Loa (eye worm) hypothetical protein 0.0032 0.019 0.0848
Brugia malayi Major Facilitator Superfamily protein 0.0032 0.019 0.0848
Onchocerca volvulus 0.0032 0.019 1
Onchocerca volvulus 0.0032 0.019 1
Schistosoma mansoni glucose transport protein 0.0229 0.2245 1
Plasmodium vivax lysine--tRNA ligase, putative 0.0051 0.0388 0.0388
Onchocerca volvulus 0.0032 0.019 1
Schistosoma mansoni protein kinase 0.007 0.0586 0.2612
Onchocerca volvulus 0.0032 0.019 1
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0051 0.0388 0.0961
Onchocerca volvulus 0.0032 0.019 1
Brugia malayi Major Facilitator Superfamily protein 0.0032 0.019 0.0848
Loa Loa (eye worm) sugar transporter 0.0032 0.019 0.0848
Trichomonas vaginalis glucose transporter, putative 0.0071 0.0596 0.1973
Trypanosoma cruzi hexose transporter, putative 0.0071 0.0596 0.8107
Brugia malayi hypothetical protein 0.0032 0.019 0.0848
Loa Loa (eye worm) hypothetical protein 0.0051 0.0388 0.1728
Schistosoma mansoni sugar transporter 0.0032 0.019 0.0848
Plasmodium falciparum mitogen-activated protein kinase 2 0.037 0.3717 0.3717
Toxoplasma gondii facilitative glucose transporter GT1 0.0229 0.2245 0.3397
Trypanosoma brucei glucose transporter, putative 0.0071 0.0596 0.8107
Schistosoma mansoni glucose transport protein 0.0229 0.2245 1
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0069 0.0571 1
Trypanosoma cruzi hexose transporter, putative 0.0039 0.0259 0.1383
Brugia malayi major facilitator superfamily protein 0.0032 0.019 0.0848
Plasmodium falciparum calcium-dependent protein kinase 4 0.007 0.0587 0.0587
Loa Loa (eye worm) hypothetical protein 0.0069 0.0571 0.2546
Schistosoma mansoni lysyl-tRNA synthetase 0.0051 0.0388 0.1728
Plasmodium vivax aspartyl proteinase, putative 0.0059 0.0471 0.0471
Brugia malayi Major Facilitator Superfamily protein 0.0032 0.019 0.0848
Trichomonas vaginalis CAMK family protein kinase 0.007 0.0586 0.1927
Onchocerca volvulus 0.0032 0.019 1
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0229 0.2245 1
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.037 0.3717 0.3717
Schistosoma mansoni glucose transport protein 0.0229 0.2245 1
Leishmania major glucose transporter/membrane transporter D2, putative 0.0071 0.0596 0.8107
Trypanosoma brucei THT1 - hexose transporter, putative 0.0071 0.0596 0.8107
Schistosoma mansoni protein kinase 0.007 0.0586 0.2612
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0028 0.0149 0.0662
Onchocerca volvulus 0.0032 0.019 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0071 0.0596 0.8107
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0059 0.0471 0.1365
Treponema pallidum prolyl-tRNA synthetase 0.0024 0.0108 0.5
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.007 0.0586 0.1927
Onchocerca volvulus 0.0032 0.019 1
Trichomonas vaginalis conserved hypothetical protein 0.0229 0.2245 1
Plasmodium falciparum calcium-dependent protein kinase 5 0.007 0.0587 0.0587
Leishmania major protein kinase, putative 0.007 0.0586 0.7919
Onchocerca volvulus Putative transporter 0.0032 0.019 1
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.007 0.0587 0.0888
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.008 0.069 1
Brugia malayi lysyl-tRNA synthetase 0.0051 0.0388 0.1728
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.008 0.069 1
Schistosoma mansoni sugar transporter 0.0032 0.019 0.0848
Loa Loa (eye worm) hypothetical protein 0.0059 0.0471 0.2097
Entamoeba histolytica protein kinase, putative 0.007 0.0586 1
Giardia lamblia Prolyl-tRNA synthetase 0.0069 0.0571 1
Leishmania major glucose transporter, lmgt1 0.0071 0.0596 0.8107
Leishmania major lysyl-tRNA synthetase, putative 0.0051 0.0388 0.395
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.008 0.069 1
Plasmodium vivax plasmepsin IV, putative 0.0059 0.0471 0.0471
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0069 0.0571 0.2546
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.008 0.069 1
Trypanosoma cruzi hexose transporter, putative 0.0071 0.0596 0.8107
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.007 0.0586 0.7919
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0069 0.0571 0.1855
Schistosoma mansoni lysyl-tRNA synthetase 0.0051 0.0388 0.1728
Trypanosoma brucei glucose transporter 2A 0.0071 0.0596 0.8107
Loa Loa (eye worm) hypothetical protein 0.0032 0.019 0.0848
Schistosoma mansoni serine/threonine protein kinase 0.007 0.0586 0.2612
Plasmodium vivax proline--tRNA ligase, putative 0.008 0.069 0.069
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.037 0.3717 0.5625
Loa Loa (eye worm) major facilitator superfamily transporter 0.0032 0.019 0.0848
Brugia malayi Cam kinase protein 1 0.007 0.0586 0.2612
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0229 0.2245 1
Plasmodium falciparum protein kinase 7 0.0646 0.6608 0.6608
Trypanosoma brucei glucose transporter, putative 0.0071 0.0596 0.8107
Schistosoma mansoni sugar transporter 0.0032 0.019 0.0848
Trichomonas vaginalis sugar transporter, putative 0.0071 0.0596 0.1973
Trypanosoma brucei glucose transporter, putative 0.0071 0.0596 0.8107
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0032 0.019 0.2954
Onchocerca volvulus 0.0032 0.019 1
Echinococcus granulosus General substrate transporter 0.0197 0.1909 0.8364
Loa Loa (eye worm) sugar transporter 0.0229 0.2245 1
Trichomonas vaginalis sugar transporter, putative 0.0071 0.0596 0.1973
Toxoplasma gondii sugar transporter ST3 0.0032 0.019 0.0288
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.007 0.0586 0.2612
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0229 0.2245 1
Plasmodium vivax hexose transporter 0.0229 0.2245 0.2245
Trypanosoma brucei glucose transporter, putative 0.0071 0.0596 0.8107
Brugia malayi major facilitator superfamily protein 0.0032 0.019 0.0848
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0051 0.0388 0.395
Toxoplasma gondii transporter, major facilitator family protein 0.0032 0.019 0.0288
Loa Loa (eye worm) hypothetical protein 0.0032 0.019 0.0848
Plasmodium falciparum lysine--tRNA ligase 0.0051 0.0388 0.0388
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.008 0.069 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.019 0.0848
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0059 0.0471 0.0712
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0045 0.0322 0.0641
Plasmodium falciparum hexose transporter 0.0229 0.2245 0.2245
Loa Loa (eye worm) hypothetical protein 0.0032 0.019 0.0848
Leishmania major glucose transporter, lmgt3 0.0071 0.0596 0.8107
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0229 0.2245 1
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0069 0.0571 0.1855
Trichomonas vaginalis glucose transporter, putative 0.0071 0.0596 0.1973
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0069 0.0571 0.2546
Mycobacterium ulcerans integral membrane transport protein 0.0032 0.019 0.2954
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0229 0.2245 1
Onchocerca volvulus 0.0032 0.019 1
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0051 0.0388 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0586 0.2612
Chlamydia trachomatis lysine--tRNA ligase 0.0051 0.0388 1
Brugia malayi hypothetical protein 0.0032 0.019 0.0848
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.007 0.0586 0.1927
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.007 0.0586 0.1927
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0032 0.019 0.2954
Trypanosoma brucei THT1 - hexose transporter, putative 0.0071 0.0596 0.8107
Mycobacterium ulcerans sugar transporter 0.0032 0.019 0.2954
Echinococcus granulosus lysyl tRNA synthetase 0.0051 0.0388 0.0961
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0059 0.0471 0.1365
Plasmodium vivax sugar transporter, putative 0.0032 0.019 0.019
Toxoplasma gondii protein kinase, putative 0.0646 0.6608 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.007 0.0586 0.1927
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.007 0.0586 0.1927
Schistosoma mansoni protein kinase 0.007 0.0586 0.2612
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0229 0.2245 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.3 nM Inhibition of renin ChEMBL. 3050088
IC50 (binding) = 1.3 nM Inhibition of renin ChEMBL. 3050088
IC50 (binding) = 1.4 nM Concentration required for 50% inhibition of human plasma renin ChEMBL. 3050088
IC50 (binding) = 1.4 nM Concentration required for 50% inhibition of human plasma renin ChEMBL. 3050088
logD > 100 Partition coefficient (logD) (octanol/citric acid-phosphate buffer) ChEMBL. 3050088
S = 30 uM Solubility ChEMBL. 3050088
S = 210 uM Solubility (phosphate buffer, pH 7.4) ChEMBL. 3050088

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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