Detailed information for compound 1846946

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1329.45 | Formula: C62H92N10O22
  • H donors: 16 H acceptors: 23 LogP: -1.34 Rotable bonds: 42
    Rule of 5 violations (Lipinski): 4
  • SMILES: OC(=O)C(CC(=O)O)(CC(=O)O)O.OC(=O)C(CC(=O)O)(CC(=O)O)O.CC[C@@H]([C@@H](C(=O)NCc1ccccn1)NC(=O)[C@H](C(C)C)NC[C@@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C)Cc1ccccc1)Cc1nc[nH]c1)CC(C)C)O)C
  • InChi: 1S/C50H76N10O8.2C6H8O7/c1-11-33(6)42(45(64)54-28-35-20-15-16-22-52-35)59-46(65)41(32(4)5)53-29-40(61)37(24-31(2)3)56-44(63)39(26-36-27-51-30-55-36)57-43(62)38(25-34-18-13-12-14-19-34)58-47(66)50(10)21-17-23-60(50)48(67)68-49(7,8)9;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h12-16,18-20,22,27,30-33,37-42,53,61H,11,17,21,23-26,28-29H2,1-10H3,(H,51,55)(H,54,64)(H,56,63)(H,57,62)(H,58,66)(H,59,65);2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t33-,37-,38-,39-,40-,41-,42-,50-;;/m0../s1
  • InChiKey: DHDYEVOIJGHSDG-FIFGMSTASA-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
Plasmodium berghei plasmepsin VI 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 falciparum plasmepsin VI 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
Plasmodium falciparum plasmepsin IV 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
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 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
Candida albicans vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C) Get druggable targets OG5_126885 All targets in OG5_126885
Theileria parva pepsinogen, putative 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
Plasmodium yoelii hypothetical 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 vivax plasmepsin IV, putative 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
Plasmodium yoelii hypothetical protein 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
Plasmodium knowlesi plasmepsin IV, putative Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium yoelii plasmepsin Get druggable targets OG5_126885 All targets in OG5_126885
Neospora caninum Renin, related 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
Schistosoma mansoni cathepsin D (A01 family) 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
Plasmodium vivax aspartyl proteinase, putative 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
Plasmodium berghei plasmepsin IV 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
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma japonicum Cathepsin D precursor, putative 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
Plasmodium falciparum plasmepsin I 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
Schistosoma japonicum ko:K01379 cathepsin D [EC3.4.23.5], 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
Onchocerca volvulus 0.0078 0.0213 0.0141
Echinococcus granulosus glycine receptor subunit alpha 1 0.0078 0.0213 0.312
Plasmodium falciparum plasmepsin II 0.0059 0 0.5
Echinococcus multilocularis hypothetical protein 0.0066 0.0083 0.1222
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Echinococcus granulosus glycine receptor subunit beta 0.0078 0.0213 0.312
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.012 0.0681 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.012 0.0681 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0078 0.0213 0.013
Loa Loa (eye worm) hypothetical protein 0.0905 0.9402 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0066 0.0083 0.1222
Loa Loa (eye worm) hypothetical protein 0.0078 0.0213 0.0226
Loa Loa (eye worm) hypothetical protein 0.0078 0.0213 0.0226
Schistosoma mansoni receptor protein tyrosine phosphatase 0.012 0.0681 0.5331
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.012 0.0681 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0066 0.0083 0.1222
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0066 0.0083 0.0089
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0078 0.0213 0.0226
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0066 0.0083 0.1222
Loa Loa (eye worm) ACC-1 protein 0.0078 0.0213 0.0226
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Loa Loa (eye worm) hypothetical protein 0.0078 0.0213 0.0226
Loa Loa (eye worm) LGC-31 protein 0.0078 0.0213 0.0226
Loa Loa (eye worm) hypothetical protein 0.0078 0.0213 0.0226
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0066 0.0083 0.1222
Loa Loa (eye worm) hypothetical protein 0.0078 0.0213 0.0226
Trypanosoma brucei protein tyrosine phosphatase 1 0.0066 0.0083 0.5
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0066 0.0083 0.0089
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0066 0.0083 0.0652
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Schistosoma mansoni cathepsin D (A01 family) 0.0174 0.1278 1
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0078 0.0213 0.312
Schistosoma mansoni nAChR subunit 0.0078 0.0213 0.1663
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0066 0.0083 0.1222
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0066 0.0083 0.1222
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0066 0.0083 0.0089
Plasmodium falciparum plasmepsin IV 0.0059 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0078 0.0213 0.0226
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0059 0 0.5
Brugia malayi Cation transporter family protein 0.0078 0.0213 0.013
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0066 0.0083 0.1222
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0078 0.0213 0.013
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0066 0.0083 0.0089
Schistosoma mansoni rgs-gaip interacting protein gipc 0.0066 0.0083 0.0652
Brugia malayi Cation transporter family protein 0.0078 0.0213 0.013
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0078 0.0213 0.312
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0078 0.0213 0.312
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0066 0.0083 0.5
Echinococcus multilocularis glycine receptor subunit beta 0.0078 0.0213 0.312
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0078 0.0213 0.013
Plasmodium vivax aspartyl proteinase, putative 0.0059 0 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0078 0.0213 0.312
Plasmodium falciparum plasmepsin I 0.0059 0 0.5
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0078 0.0213 0.013
Echinococcus granulosus nAChR subunit 0.0078 0.0213 0.312
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.012 0.0681 1
Loa Loa (eye worm) hypothetical protein 0.0838 0.8663 0.9214
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0078 0.0213 0.312
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0078 0.0213 0.0226
Echinococcus granulosus protein tyrosine phosphatase n9 0.0066 0.0083 0.1222
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0078 0.0213 0.1663
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0066 0.0083 0.0652
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0078 0.0213 0.312
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0066 0.0083 0.1222
Loa Loa (eye worm) hypothetical protein 0.0078 0.0213 0.0226
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0078 0.0213 0.013
Loa Loa (eye worm) hypothetical protein 0.0838 0.8663 0.9214
Echinococcus granulosus glycine receptor subunit alpha 1 0.0078 0.0213 0.312
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0078 0.0213 0.0226
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0078 0.0213 0.013
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0066 0.0083 0.1222
Schistosoma mansoni protein tyrosine phosphatase 0.012 0.0681 0.5331
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0066 0.0083 0.0089
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0078 0.0213 0.1663
Schistosoma mansoni nAChR subunit 0.0078 0.0213 0.1663
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.012 0.0681 0.0725
Trichomonas vaginalis pten, drome, putative 0.0066 0.0083 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0078 0.0213 0.1663
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Onchocerca volvulus 0.0892 0.9261 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.012 0.0681 1
Loa Loa (eye worm) hypothetical protein 0.0838 0.8663 0.9214
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0078 0.0213 0.0226
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0066 0.0083 0.1222
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0066 0.0083 0.0089
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0078 0.0213 0.312
Schistosoma mansoni receptor protein tyrosine phosphatase r (pcptp1) 0.0066 0.0083 0.0652
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Schistosoma mansoni pcd6 interacting protein-related 0.0066 0.0083 0.0652
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0066 0.0083 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Onchocerca volvulus Putative nachr subunit 0.0078 0.0213 0.0141
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0066 0.0083 0.1222
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0066 0.0083 0.1222
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Loa Loa (eye worm) hypothetical protein 0.0078 0.0213 0.0226
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0078 0.0213 0.312
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.012 0.0681 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0066 0.0083 0.1222
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0066 0.0083 0.0089
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0066 0.0083 0.1222
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.012 0.0681 1
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0078 0.0213 0.312
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0066 0.0083 0.1222
Loa Loa (eye worm) hypothetical protein 0.0078 0.0213 0.0226
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0078 0.0213 0.013
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.012 0.0681 1
Onchocerca volvulus 0.0078 0.0213 0.0141
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0066 0.0083 0.1222
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0066 0.0083 0.0089
Loa Loa (eye worm) hypothetical protein 0.0078 0.0213 0.0226
Echinococcus multilocularis glycine receptor subunit beta 0.0078 0.0213 0.312
Echinococcus granulosus glycine receptor subunit beta 0.0078 0.0213 0.312
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0078 0.0213 0.013
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0066 0.0083 0.1222
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0066 0.0083 0.1222
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0078 0.0213 0.312
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0078 0.0213 0.312
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0066 0.0083 0.1222
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0066 0.0083 0.1222
Schistosoma mansoni nAChR subunit 0.0078 0.0213 0.1663
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.012 0.0681 1
Echinococcus multilocularis protein tyrosine phosphatase n9 0.0066 0.0083 0.1222
Echinococcus multilocularis receptor type tyrosine protein phosphatase H 0.0066 0.0083 0.1222
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0066 0.0083 0.1222
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0078 0.0213 0.1663
Loa Loa (eye worm) dual specificity protein phosphatase CDC14B 0.0066 0.0083 0.0089
Schistosoma mansoni non-receptor protein-tyrosine phosphatase 0.0066 0.0083 0.0652
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0066 0.0083 0.1222
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0078 0.0213 0.312
Onchocerca volvulus 0.0078 0.0213 0.0141
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0066 0.0083 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0066 0.0083 0.1222
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.012 0.0681 0.5331
Schistosoma mansoni nAChR subunit 0.0078 0.0213 0.1663
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0078 0.0213 0.013
Loa Loa (eye worm) hypothetical protein 0.0078 0.0213 0.0226
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0078 0.0213 0.013
Trypanosoma cruzi tyrosine specific protein phosphatase, putative 0.0066 0.0083 0.5
Onchocerca volvulus 0.0078 0.0213 0.0141
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.012 0.0681 0.5331
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0078 0.0213 0.013
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0078 0.0213 0.312
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.012 0.0681 0.5331
Brugia malayi excitatory GABA receptor EXP-1A 0.0078 0.0213 0.013
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0066 0.0083 0.0089
Brugia malayi Cation transporter family protein 0.0078 0.0213 0.013
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0078 0.0213 0.312
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0078 0.0213 0.312
Entamoeba histolytica Pten 3-phosphoinositide phosphatase, putative 0.0066 0.0083 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0066 0.0083 0.1222
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Schistosoma mansoni protein tyrosine phosphatase 0.0066 0.0083 0.0652
Schistosoma mansoni protein-tyrosine phosphatase n9 0.0066 0.0083 0.0652
Loa Loa (eye worm) hypothetical protein 0.0078 0.0213 0.0226
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0078 0.0213 0.013
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0066 0.0083 0.0652
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0066 0.0083 0.1222
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0078 0.0213 0.1663
Giardia lamblia Protein tyrosine phosphatase 0.0066 0.0083 0.5
Loa Loa (eye worm) protein-tyrosine phosphatase 1 0.0066 0.0083 0.0089
Schistosoma mansoni protein-tyrosine phosphatase non-receptor type nt5 0.0066 0.0083 0.0652
Schistosoma mansoni nAChR subunit 0.0078 0.0213 0.1663
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0066 0.0083 0.0652
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0078 0.0213 0.013
Loa Loa (eye worm) hypothetical protein 0.0078 0.0213 0.0226
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0066 0.0083 0.0089
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0066 0.0083 0.0089
Echinococcus granulosus Receptor type tyrosine protein phosphatase O 0.0066 0.0083 0.1222
Leishmania major tyrosine specific protein phosphatase, putative 0.0066 0.0083 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0078 0.0213 0.312
Onchocerca volvulus 0.0078 0.0213 0.0141
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0078 0.0213 0.1663
Loa Loa (eye worm) protein tyrosine phosphatase 0.0066 0.0083 0.0089
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0078 0.0213 0.312
Schistosoma mansoni protein tyrosine phosphatase 0.0066 0.0083 0.0652
Echinococcus multilocularis 0.0066 0.0083 0.1222
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.012 0.0681 0.5331
Echinococcus multilocularis nAChR subunit 0.0078 0.0213 0.312
Loa Loa (eye worm) hypothetical protein 0.0078 0.0213 0.0226
Leishmania major protein-tyrosine phosphatase 1-like protein 0.0066 0.0083 0.5
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0078 0.0213 0.0226
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0078 0.0213 0.0226
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0066 0.0083 0.0089
Loa Loa (eye worm) ACC-1 protein 0.0078 0.0213 0.0226
Loa Loa (eye worm) hypothetical protein 0.0078 0.0213 0.0226
Loa Loa (eye worm) hypothetical protein 0.0078 0.0213 0.0226
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Plasmodium falciparum plasmepsin VI 0.0059 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0078 0.0213 0.0226
Loa Loa (eye worm) protein-tyrosine-phosphatase 0.0066 0.0083 0.0089
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0066 0.0083 0.1222
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0078 0.0213 0.312
Schistosoma mansoni nAChR subunit 0.0078 0.0213 0.1663
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0066 0.0083 0.0089
Plasmodium vivax plasmepsin IV, putative 0.0059 0 0.5
Toxoplasma gondii aspartyl protease ASP1 0.0059 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Schistosoma mansoni receptor protein tyrosine phosphatase n (ia2) 0.0066 0.0083 0.0652
Loa Loa (eye worm) hypothetical protein 0.0078 0.0213 0.0226
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0078 0.0213 0.013
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0066 0.0083 0.0089
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.012 0.0681 1
Schistosoma mansoni cathepsin D (A01 family) 0.0174 0.1278 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0078 0.0213 0.013
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0066 0.0083 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0078 0.0213 0.013
Schistosoma mansoni nAChR subunit 0.0078 0.0213 0.1663
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Onchocerca volvulus 0.0078 0.0213 0.0141
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0066 0.0083 0.1222
Loa Loa (eye worm) hypothetical protein 0.0066 0.0083 0.0089
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0066 0.0083 0.0089
Loa Loa (eye worm) hypothetical protein 0.0078 0.0213 0.0226
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0078 0.0213 0.312

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.6 nM Compound was evaluated in vitro for the inhibition against hog renin. ChEMBL. 3546690

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.