Detailed information for compound 502597

Basic information

Technical information
  • TDR Targets ID: 502597
  • Name: 5-(2-acetylphenyl)-3-N-[(2S,3R)-4-(cyclobutyl amino)-3-hydroxy-1-phenylbutan-2-yl]-1-N-[(1R )-1-phenylethyl]benzene-1,3-dicarboxamide
  • MW: 603.75 | Formula: C38H41N3O4
  • H donors: 4 H acceptors: 4 LogP: 6.12 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: O[C@@H]([C@@H](NC(=O)c1cc(cc(c1)c1ccccc1C(=O)C)C(=O)N[C@@H](c1ccccc1)C)Cc1ccccc1)CNC1CCC1
  • InChi: 1S/C38H41N3O4/c1-25(28-14-7-4-8-15-28)40-37(44)30-21-29(34-19-10-9-18-33(34)26(2)42)22-31(23-30)38(45)41-35(20-27-12-5-3-6-13-27)36(43)24-39-32-16-11-17-32/h3-10,12-15,18-19,21-23,25,32,35-36,39,43H,11,16-17,20,24H2,1-2H3,(H,40,44)(H,41,45)/t25-,35+,36-/m1/s1
  • InChiKey: PAYKUQGXTSZBRO-ZGEQKSCTSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(2-acetylphenyl)-N3-[(1S,2R)-1-benzyl-3-(cyclobutylamino)-2-hydroxy-propyl]-N1-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
  • 5-(2-acetylphenyl)-N3-[(1S,2R)-1-benzyl-3-(cyclobutylamino)-2-hydroxypropyl]-N1-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
  • N3-[(2S,3R)-4-(cyclobutylamino)-3-hydroxy-1-phenyl-butan-2-yl]-5-(2-ethanoylphenyl)-N1-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
  • 5-(2-acetylphenyl)-N'-[(1S,2R)-1-benzyl-3-(cyclobutylamino)-2-hydroxy-propyl]-N-[(1R)-1-phenylethyl]isophthalamide
  • 5-(2-acetylphenyl)-N'-[(2S,3R)-4-(cyclobutylamino)-3-hydroxy-1-phenylbutan-2-yl]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
  • 5-(2-acetylphenyl)-N'-[(1S,2R)-3-(cyclobutylamino)-2-hydroxy-1-(phenylmethyl)propyl]-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
  • 5-(2-acetylphenyl)-N'-[(1S,2R)-1-(benzyl)-3-(cyclobutylamino)-2-hydroxy-propyl]-N-[(1R)-1-phenylethyl]isophthalamide
  • N'-[(2S,3R)-4-(cyclobutylamino)-3-hydroxy-1-phenyl-butan-2-yl]-5-(2-ethanoylphenyl)-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens beta-site APP-cleaving enzyme 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni memapsin-2 (A01 family) Get druggable targets OG5_135830 All targets in OG5_135830
Schistosoma japonicum ko:K07747 beta-site APP-cleaving enzyme 2 (memapsin 1) [EC3.4.23.45], putative Get druggable targets OG5_135830 All targets in OG5_135830
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum plasmepsin VII beta-site APP-cleaving enzyme 1 401 aa 352 aa 21.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0107 0.1047 0.0602
Brugia malayi Dopamine receptor 0.0107 0.1047 0.0602
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0107 0.1047 0.0592
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0107 0.1047 0.0592
Schistosoma mansoni DNA polymerase gamma 0.01 0.0927 0.0466
Echinococcus granulosus hypothetical protein 0.0107 0.1047 0.0602
Onchocerca volvulus 0.0107 0.1047 0.0602
Schistosoma mansoni hypothetical protein 0.0107 0.1047 0.0592
Echinococcus granulosus expressed protein 0.0379 0.5464 0.5315
Trypanosoma brucei ribonuclease H1 0.0094 0.0823 0.0823
Brugia malayi Dopamine receptor protein 1 0.0107 0.1047 0.0602
Echinococcus granulosus peptide allatostatin:somatostatin 0.0107 0.1047 0.0602
Trypanosoma brucei RNA helicase, putative 0.0657 1 1
Schistosoma mansoni biogenic amine receptor 0.0107 0.1047 0.0592
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0107 0.1047 0.0602
Schistosoma mansoni phosphoglucomutase 0.0094 0.0823 0.0358
Brugia malayi AKH receptor 0.0107 0.1047 0.0602
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0107 0.1047 0.0592
Brugia malayi hypothetical protein 0.0308 0.4321 0.4095
Schistosoma mansoni neuropeptide F-like receptor 0.0107 0.1047 0.0592
Onchocerca volvulus Neuropeptide F receptor homolog 0.0107 0.1047 0.0602
Echinococcus multilocularis rhodopsin orphan GPCR 0.0107 0.1047 0.0602
Onchocerca volvulus 0.0107 0.1047 0.0602
Trichomonas vaginalis thymidine kinase, putative 0.0268 0.3657 0.8424
Trypanosoma cruzi thymidylate kinase, putative 0.0073 0.0483 0.049
Schistosoma mansoni opsin-like receptor 0.0107 0.1047 0.0592
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0107 0.1047 0.0602
Brugia malayi hypothetical protein 0.0107 0.1047 0.0602
Echinococcus granulosus g protein coupled receptor 0.0107 0.1047 0.0602
Echinococcus multilocularis g protein coupled receptor 0.0107 0.1047 0.0602
Echinococcus multilocularis neuropeptide receptor A26 0.0107 0.1047 0.0602
Echinococcus granulosus rhodopsin orphan GPCR 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Schistosoma mansoni amine GPCR 0.0107 0.1047 0.0592
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Onchocerca volvulus 0.0107 0.1047 0.0602
Echinococcus multilocularis somatostatin receptor 0.0107 0.1047 0.0602
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0107 0.1047 0.0602
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0107 0.1047 0.0592
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0306 0.4281 0.4281
Brugia malayi DNA polymerase I family protein 0.01 0.0927 0.0473
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0107 0.1047 0.0602
Brugia malayi neuropeptide F receptor 0.0107 0.1047 0.0602
Echinococcus multilocularis g protein coupled receptor 0.0107 0.1047 0.0602
Trypanosoma cruzi thymidine kinase, putative 0.0268 0.3657 0.3711
Echinococcus multilocularis orexin receptor type 2 0.0107 0.1047 0.0602
Echinococcus multilocularis neuropeptide Y receptor 0.0107 0.1047 0.0602
Schistosoma mansoni neuropeptide receptor 0.0107 0.1047 0.0592
Echinococcus multilocularis G-protein coupled receptor, putative 0.0107 0.1047 0.0602
Echinococcus multilocularis dro:myosuppressin receptor 0.0107 0.1047 0.0602
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0107 0.1047 0.0592
Echinococcus multilocularis rhodopsin orphan GPCR 0.0107 0.1047 0.0602
Echinococcus multilocularis neuropeptide receptor 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0648 0.9855 1
Onchocerca volvulus 0.0107 0.1047 0.0602
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0107 0.1047 0.0602
Trichomonas vaginalis ribonuclease H1, putative 0.0094 0.0823 0.1694
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Plasmodium vivax DNA polymerase alpha, putative 0.0092 0.0805 0.0344
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.005 0.011 0.0112
Echinococcus granulosus dro:myosuppressin receptor 0.0107 0.1047 0.0602
Leishmania major thymidine kinase, putative 0.0268 0.3657 0.364
Onchocerca volvulus 0.0107 0.1047 0.0602
Trypanosoma cruzi thymidine kinase, putative 0.0268 0.3657 0.3711
Brugia malayi Serotonin receptor 0.0107 0.1047 0.0602
Brugia malayi hypothetical protein 0.0107 0.1047 0.0602
Echinococcus multilocularis neuropeptide receptor 0.0107 0.1047 0.0602
Echinococcus granulosus neuropeptides capa receptor 0.0107 0.1047 0.0602
Trichomonas vaginalis thymidine kinase, putative 0.0268 0.3657 0.8424
Toxoplasma gondii thymidylate kinase 0.0073 0.0483 0.039
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0107 0.1047 0.0602
Onchocerca volvulus 0.0107 0.1047 0.0602
Onchocerca volvulus 0.0107 0.1047 0.0602
Echinococcus granulosus biogenic amine 5HT receptor 0.0107 0.1047 0.0602
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0107 0.1047 0.0602
Echinococcus granulosus somatostatin receptor 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0107 0.1047 0.0592
Echinococcus multilocularis neuropeptide FF receptor 2 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Echinococcus multilocularis ribonuclease H1 0.0094 0.0823 0.0363
Echinococcus granulosus rhodopsin orphan GPCR 0.0107 0.1047 0.0602
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0107 0.1047 0.0602
Echinococcus multilocularis serotonin receptor 0.0107 0.1047 0.0602
Schistosoma mansoni opsin-like receptor 0.0107 0.1047 0.0592
Loa Loa (eye worm) neuropeptide F receptor 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0648 0.9855 1
Trichomonas vaginalis thymidine kinase, putative 0.0268 0.3657 0.8424
Trichomonas vaginalis conserved hypothetical protein 0.0308 0.4321 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Onchocerca volvulus 0.0107 0.1047 0.0602
Schistosoma mansoni growth hormone secretagogue receptor 0.0107 0.1047 0.0592
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0648 0.9855 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0107 0.1047 0.0592
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0109 0.1066 0.1066
Brugia malayi thymidylate synthase 0.0648 0.9855 1
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0094 0.0823 1
Giardia lamblia DNA polymerase alpha subunit A 0.0097 0.0871 0.1222
Schistosoma mansoni neuropeptide receptor 0.0107 0.1047 0.0592
Schistosoma mansoni opsin-like receptor 0.0107 0.1047 0.0592
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Brugia malayi hypothetical protein 0.0107 0.1047 0.0602
Trypanosoma brucei thymidine kinase 0.0268 0.3657 0.3657
Onchocerca volvulus 0.0107 0.1047 0.0602
Brugia malayi putative neuropeptide receptor 0.0107 0.1047 0.0602
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0157 0.1851 0.146
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0107 0.1047 0.0602
Schistosoma mansoni alpha-1 adrenergic receptor 0.0107 0.1047 0.0592
Echinococcus multilocularis allatostatin A receptor 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Echinococcus granulosus rhodopsin orphan GPCR 0.0107 0.1047 0.0602
Toxoplasma gondii ribonuclease HI protein 0.0094 0.0823 0.0739
Echinococcus multilocularis g protein coupled receptor 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Echinococcus multilocularis neuropeptides capa receptor 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Treponema pallidum ribonuclease H (rnhA) 0.0094 0.0823 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0107 0.1047 0.0602
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0107 0.1047 0.0602
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0107 0.1047 0.0592
Echinococcus granulosus tm gpcr rhodopsin 0.0107 0.1047 0.0602
Schistosoma mansoni biogenic amine (5HT) receptor 0.0107 0.1047 0.0592
Trypanosoma brucei ingi protein (ORF1) 0.0109 0.1066 0.1066
Leishmania major ribonuclease H1, putative 0.0094 0.0823 0.0732
Schistosoma mansoni phosphoglucomutase 0.0094 0.0823 0.0358
Giardia lamblia Thymidine kinase 0.0268 0.3657 1
Echinococcus multilocularis serotonin receptor 0.0107 0.1047 0.0602
Echinococcus granulosus fmrfamide receptor 0.0107 0.1047 0.0602
Echinococcus granulosus orexin receptor type 2 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0145 0.1657 0.1657
Echinococcus granulosus neuropeptide Y receptor 0.0107 0.1047 0.0602
Echinococcus granulosus g protein coupled receptor 0.0107 0.1047 0.0602
Mycobacterium ulcerans thymidylate synthase 0.0648 0.9855 1
Schistosoma mansoni amine GPCR 0.0107 0.1047 0.0592
Echinococcus granulosus neuropeptide receptor A26 0.0107 0.1047 0.0602
Echinococcus granulosus DNA polymerase subunit gamma 0.01 0.0927 0.0473
Brugia malayi hypothetical protein 0.0107 0.1047 0.0602
Loa Loa (eye worm) neuropeptide F receptor 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0107 0.1047 0.0602
Leishmania major thymidylate kinase-like protein 0.0073 0.0483 0.0383
Schistosoma mansoni amine GPCR 0.0107 0.1047 0.0592
Echinococcus granulosus thymidylate synthase 0.0648 0.9855 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Brugia malayi G-protein coupled receptor 0.0107 0.1047 0.0602
Echinococcus granulosus allatostatin A receptor 0.0107 0.1047 0.0602
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0306 0.4281 0.4344
Trichomonas vaginalis thymidylate kinase, putative 0.0073 0.0483 0.0886
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0107 0.1047 0.0602
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0114 0.1156 0.0718
Echinococcus multilocularis sex peptide receptor 0.0107 0.1047 0.0602
Trypanosoma brucei thymidylate kinase, putative 0.0073 0.0483 0.0483
Echinococcus granulosus rhodopsin orphan GPCR 0.0107 0.1047 0.0602
Schistosoma mansoni biogenic amine receptor 0.0107 0.1047 0.0592
Brugia malayi larval opioid receptor 0.0107 0.1047 0.0602
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0107 0.1047 0.0602
Echinococcus granulosus rhodopsin orphan GPCR 0.0107 0.1047 0.0602
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0648 0.9855 0.9855
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Onchocerca volvulus 0.0107 0.1047 0.0602
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0107 0.1047 0.0602
Brugia malayi Melatonin receptor type 1A 0.0107 0.1047 0.0602
Echinococcus granulosus neuropeptide Y receptor 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Echinococcus multilocularis neuropeptide s receptor 0.0107 0.1047 0.0602
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0107 0.1047 0.0592
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0648 0.9855 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0308 0.4321 0.4385
Echinococcus granulosus neuropeptide FF receptor 2 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0107 0.1047 0.0602
Trypanosoma brucei hypothetical protein, conserved 0.0109 0.1066 0.1066
Schistosoma mansoni amine GPCR 0.0107 0.1047 0.0592
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0107 0.1047 0.0602
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0092 0.0805 0.072
Schistosoma mansoni hypothetical protein 0.0107 0.1047 0.0592
Brugia malayi DNA polymerase alpha catalytic subunit 0.0092 0.0805 0.0344
Echinococcus multilocularis rhodopsin orphan GPCR 0.0107 0.1047 0.0602
Brugia malayi RE15519p 0.0107 0.1047 0.0602
Trypanosoma brucei ingi protein (ORF1) 0.0109 0.1066 0.1066
Echinococcus multilocularis rhodopsin orphan GPCR 0.0107 0.1047 0.0602
Brugia malayi Dopamine receptor protein 2 0.0107 0.1047 0.0602
Mycobacterium tuberculosis Conserved hypothetical protein 0.0161 0.1923 0.1537
Echinococcus multilocularis rhodopsin orphan GPCR 0.0107 0.1047 0.0602
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0107 0.1047 0.0602
Onchocerca volvulus Ribonuclease H1 homolog 0.0094 0.0823 0.0363
Brugia malayi G protein-coupled receptor F59B2.13 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0157 0.1851 0.146
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0107 0.1047 0.0602
Echinococcus granulosus neuropeptide receptor 0.0107 0.1047 0.0602
Trypanosoma cruzi ribonuclease H1, putative 0.0094 0.0823 0.0836
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0107 0.1047 0.0592
Echinococcus multilocularis fmrfamide receptor 0.0107 0.1047 0.0602
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0107 0.1047 0.0602
Brugia malayi RNase H family protein 0.0094 0.0823 0.0363
Brugia malayi Tachykinin-like peptides receptor 99D 0.0107 0.1047 0.0602
Schistosoma mansoni neuropeptide F-like receptor 0.0107 0.1047 0.0592
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Onchocerca volvulus 0.0107 0.1047 0.0602
Brugia malayi hypothetical protein 0.0107 0.1047 0.0602
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0107 0.1047 0.0602
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0107 0.1047 0.0592
Trypanosoma cruzi thymidylate kinase, putative 0.0073 0.0483 0.049
Echinococcus granulosus rhodopsin orphan GPCR 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Echinococcus multilocularis hypothetical protein 0.01 0.0927 0.0473
Brugia malayi hypothetical protein 0.0107 0.1047 0.0602
Trypanosoma brucei thymidylate kinase, putative 0.0073 0.0483 0.0483
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0107 0.1047 0.0592
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0107 0.1047 0.0602
Echinococcus multilocularis G protein coupled receptor 139 0.0107 0.1047 0.0602
Onchocerca volvulus 0.0648 0.9855 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0145 0.1657 0.1681
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0107 0.1047 0.0592
Brugia malayi G protein-coupled receptor 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Trypanosoma brucei DNA polymerase alpha catalytic subunit 0.005 0.011 0.011
Schistosoma mansoni hypothetical protein 0.0107 0.1047 0.0592
Brugia malayi neuropeptide F receptor 0.0107 0.1047 0.0602
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0145 0.1657 0.1588
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0648 0.9855 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Schistosoma mansoni hypothetical protein 0.0107 0.1047 0.0592
Echinococcus multilocularis expressed protein 0.0379 0.5464 0.5315
Loa Loa (eye worm) thymidylate synthase 0.0648 0.9855 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0107 0.1047 0.0592
Onchocerca volvulus 0.0107 0.1047 0.0602
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0107 0.1047 0.0602
Echinococcus granulosus 7tm_1 domain containing protein 0.0107 0.1047 0.0602
Loa Loa (eye worm) TYRA-2 protein 0.0107 0.1047 0.0602
Echinococcus multilocularis rhodopsin orphan GPCR 0.0107 0.1047 0.0602
Echinococcus granulosus tm gpcr rhodopsin 0.0107 0.1047 0.0602
Echinococcus granulosus neuropeptide receptor 0.0107 0.1047 0.0602
Chlamydia trachomatis thymidylate kinase 0.0073 0.0483 0.5
Echinococcus granulosus serotonin receptor 0.0107 0.1047 0.0602
Entamoeba histolytica thymidine kinase, putative 0.0268 0.3657 1
Brugia malayi ORL1-like opioid receptor 0.0107 0.1047 0.0602
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0107 0.1047 0.0592
Schistosoma mansoni phosphoglucomutase 0.0094 0.0823 0.0358
Brugia malayi Serotonin receptor 0.0107 0.1047 0.0602
Loa Loa (eye worm) melatonin receptor type 1A 0.0107 0.1047 0.0602
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0107 0.1047 0.0592
Leishmania major mitochondrial DNA polymerase beta 0.0306 0.4281 0.428
Echinococcus granulosus G protein coupled receptor 139 0.0107 0.1047 0.0602
Echinococcus granulosus g protein coupled receptor 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Brugia malayi G-protein coupled receptor 0.0107 0.1047 0.0602
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0107 0.1047 0.0602
Schistosoma mansoni histamine h1 receptor 0.0107 0.1047 0.0592
Onchocerca volvulus 0.0107 0.1047 0.0602
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0107 0.1047 0.0602
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0107 0.1047 0.0592
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0107 0.1047 0.0602
Loa Loa (eye worm) G-protein coupled receptor 0.0107 0.1047 0.0602
Onchocerca volvulus 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Brugia malayi hypothetical protein 0.0107 0.1047 0.0602
Giardia lamblia Ribonuclease H 0.0094 0.0823 0.1072
Echinococcus multilocularis neuropeptides capa receptor 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0107 0.1047 0.0592
Echinococcus granulosus 7TM GPCR rhodopsin 0.0107 0.1047 0.0602
Echinococcus granulosus alpha 1A adrenergic receptor 0.0107 0.1047 0.0602
Echinococcus multilocularis neuropeptide Y receptor 0.0107 0.1047 0.0602
Echinococcus granulosus tm gpcr rhodopsin 0.0107 0.1047 0.0602
Schistosoma mansoni neuropeptide receptor 0.0107 0.1047 0.0592
Trypanosoma cruzi ribonuclease H1, putative 0.0094 0.0823 0.0836
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0648 0.9855 0.9847
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.0153 0.0155
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Brugia malayi RNase H family protein 0.0094 0.0823 0.0363
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0107 0.1047 0.0602
Echinococcus multilocularis fmrfamide receptor 0.0107 0.1047 0.0602
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0107 0.1047 0.0592
Schistosoma mansoni adenoreceptor 0.0107 0.1047 0.0592
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0107 0.1047 0.0602
Schistosoma mansoni biogenic amine (5HT) receptor 0.0107 0.1047 0.0592
Loa Loa (eye worm) hypothetical protein 0.01 0.0927 0.0473
Schistosoma mansoni myosin xvIII 0.0107 0.1047 0.0592
Brugia malayi GnHR receptor homolog 0.0107 0.1047 0.0602
Brugia malayi hypothetical protein 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0114 0.1156 0.0718
Brugia malayi sulfakinin receptor protein 0.0107 0.1047 0.0602
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0114 0.1156 0.0707
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0648 0.9855 1
Echinococcus granulosus neuropeptides capa receptor 0.0107 0.1047 0.0602
Echinococcus granulosus biogenic amine 5HT receptor 0.0107 0.1047 0.0602
Onchocerca volvulus 0.0107 0.1047 0.0602
Schistosoma mansoni neuropeptide f receptor 76f 0.0107 0.1047 0.0592
Echinococcus multilocularis thymidylate synthase 0.0648 0.9855 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0107 0.1047 0.0592
Echinococcus multilocularis g-protein coupled receptor 0.0107 0.1047 0.0602
Mycobacterium tuberculosis Hypothetical protein 0.0308 0.4321 0.4095
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Echinococcus granulosus sex peptide receptor 0.0107 0.1047 0.0602
Echinococcus granulosus g-protein coupled receptor 0.0107 0.1047 0.0602
Mycobacterium ulcerans hypothetical protein 0.0161 0.1923 0.1537
Echinococcus granulosus ribonuclease H1 0.0094 0.0823 0.0363
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Brugia malayi hypothetical protein 0.0107 0.1047 0.0602
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0306 0.4281 0.4344
Trichomonas vaginalis thymidylate kinase, putative 0.0073 0.0483 0.0886
Schistosoma mansoni biogenic amine receptor 0.0107 0.1047 0.0592
Schistosoma mansoni amine GPCR 0.0107 0.1047 0.0592
Brugia malayi RNase H family protein 0.0094 0.0823 0.0363
Brugia malayi follicle stimulating hormone receptor 0.0107 0.1047 0.0602
Echinococcus multilocularis rhodopsin orphan GPCR 0.0107 0.1047 0.0602
Echinococcus granulosus tachykinin peptides receptor 99D 0.0107 0.1047 0.0602
Echinococcus granulosus rhodopsin orphan GPCR 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Trypanosoma brucei unspecified product 0.0109 0.1066 0.1066
Onchocerca volvulus 0.0107 0.1047 0.0602
Schistosoma mansoni neuropeptide receptor 0.0107 0.1047 0.0592
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0107 0.1047 0.0592
Echinococcus granulosus neuropeptide s receptor 0.0107 0.1047 0.0602
Loa Loa (eye worm) hypothetical protein 0.0107 0.1047 0.0602
Brugia malayi putative neuropeptide receptor NPR1 0.0107 0.1047 0.0602
Schistosoma mansoni memapsin-2 (A01 family) 0.0521 0.7779 0.7666
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0107 0.1047 0.0602
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0107 0.1047 0.0592
Brugia malayi hypothetical protein 0.0107 0.1047 0.0602
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0648 0.9855 1
Loa Loa (eye worm) G-protein coupled receptor 0.0107 0.1047 0.0602

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1400 nM Inhibition of BACE1 (unknown origin) ChEMBL. 17107793
IC50 (binding) = 1400 nM Inhibition of BACE1 (unknown origin) ChEMBL. 17107793

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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