Detailed information for compound 327853

Basic information

Technical information
  • TDR Targets ID: 327853
  • Name: [(3R)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophen yl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy- 1-phenylbutan-2-yl]carbamate
  • MW: 505.627 | Formula: C25H35N3O6S
  • H donors: 3 H acceptors: 4 LogP: 2.89 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(CN(S(=O)(=O)c1ccc(cc1)N)C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOC1)O)C
  • InChi: 1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23+,24-/m1/s1
  • InChiKey: YMARZQAQMVYCKC-YFNKSVMNSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [(3R)-tetrahydrofuran-3-yl] N-[(1S,2R)-3-[(4-aminophenyl)sulfonyl-isobutyl-amino]-1-benzyl-2-hydroxy-propyl]carbamate
  • N-[(1S,2R)-3-[(4-aminophenyl)sulfonyl-isobutylamino]-1-benzyl-2-hydroxypropyl]carbamic acid [(3R)-3-tetrahydrofuranyl] ester
  • [(3R)-oxolan-3-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenyl-butan-2-yl]carbamate
  • N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl(sulfanilyl)amino]propyl]carbamic acid [(3R)-tetrahydrofuran-3-yl] ester
  • amprenavir
  • [(3R)-tetrahydrofuran-3-yl] N-[(1S,2R)-3-[(4-aminophenyl)sulfonyl-isobutyl-amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate
  • N-[(1S,2R)-3-[(4-aminophenyl)sulfonyl-isobutylamino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic acid [(3R)-3-tetrahydrofuranyl] ester
  • N-[(1S,2R)-3-[(4-aminophenyl)sulfonyl-isobutyl-amino]-1-(benzyl)-2-hydroxy-propyl]carbamic acid [(3R)-tetrahydrofuran-3-yl] ester

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Plasmodium falciparum plasmepsin VI 0.0059 0.0137 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1289 0.4186 1
Brugia malayi RE15519p 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.1289 0.4186 1
Echinococcus multilocularis fmrfamide receptor 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0059 0.0137 0.021
Schistosoma mansoni opsin-like receptor 0.1289 0.4186 0.4157
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Echinococcus granulosus neuropeptide Y receptor 0.1289 0.4186 1
Echinococcus multilocularis neuropeptide receptor 0.1289 0.4186 1
Echinococcus multilocularis g protein coupled receptor 0.1289 0.4186 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1289 0.4186 1
Plasmodium vivax plasmepsin IV, putative 0.0059 0.0137 0.5
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Echinococcus granulosus neuropeptide s receptor 0.1289 0.4186 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.1289 0.4186 1
Brugia malayi hypothetical protein 0.1289 0.4186 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.1289 0.4186 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1289 0.4186 1
Schistosoma mansoni biogenic amine receptor 0.1289 0.4186 0.4157
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.1289 0.4186 1
Brugia malayi putative neuropeptide receptor 0.1289 0.4186 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.1289 0.4186 0.4157
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.1289 0.4186 1
Echinococcus granulosus fmrfamide receptor 0.1289 0.4186 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.1289 0.4186 1
Brugia malayi hypothetical protein 0.1289 0.4186 1
Plasmodium vivax aspartyl proteinase, putative 0.0059 0.0137 0.5
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Echinococcus multilocularis sex peptide receptor 0.1289 0.4186 1
Echinococcus granulosus neuropeptides capa receptor 0.1289 0.4186 1
Echinococcus multilocularis neuropeptide receptor 0.1289 0.4186 1
Schistosoma mansoni amine GPCR 0.1289 0.4186 0.4157
Echinococcus multilocularis g protein coupled receptor 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.005 0.0119
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Mycobacterium tuberculosis Secreted antigen 85-C FbpC (85C) (antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-binding protein C) 0.0924 0.2985 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Echinococcus granulosus tm gpcr rhodopsin 0.1289 0.4186 1
Brugia malayi hypothetical protein 0.1289 0.4186 1
Mycobacterium ulcerans hypothetical protein 0.0039 0.0072 0.0059
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0146 0.0097
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Mycobacterium ulcerans secreted Mpt51/Mpb51 antigen protein FbpD 0.0039 0.0072 0.0059
Onchocerca volvulus 0.1289 0.4186 1
Echinococcus granulosus orexin receptor type 2 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Brugia malayi hypothetical protein 0.1289 0.4186 1
Schistosoma mansoni hypothetical protein 0.1289 0.4186 0.4157
Echinococcus granulosus g protein coupled receptor 0.1289 0.4186 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.1289 0.4186 1
Echinococcus multilocularis serotonin receptor 0.1289 0.4186 1
Loa Loa (eye worm) esterase D 0.0039 0.0072 0.0172
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.1289 0.4186 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.1289 0.4186 0.4157
Loa Loa (eye worm) neuropeptide F receptor 0.1289 0.4186 1
Onchocerca volvulus 0.1289 0.4186 1
Echinococcus multilocularis fmrfamide receptor 0.1289 0.4186 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.1289 0.4186 0.4157
Onchocerca volvulus 0.1289 0.4186 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.005 0.0119
Echinococcus granulosus g-protein coupled receptor 0.1289 0.4186 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.1289 0.4186 1
Echinococcus granulosus S formylglutathione hydrolase 0.0039 0.0072 0.0053
Leishmania major cytochrome p450-like protein 0.0034 0.0054 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.1289 0.4186 0.4157
Mycobacterium ulcerans hypothetical protein 0.0039 0.0072 0.0059
Echinococcus granulosus rhodopsin orphan GPCR 0.1289 0.4186 1
Schistosoma mansoni amine GPCR 0.1289 0.4186 0.4157
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1289 0.4186 0.4157
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0059 0.0137 0.0087
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Schistosoma mansoni opsin-like receptor 0.1289 0.4186 0.4157
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.1289 0.4186 0.4157
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Echinococcus multilocularis g-protein coupled receptor 0.1289 0.4186 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1289 0.4186 0.4157
Loa Loa (eye worm) melatonin receptor type 1A 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Echinococcus multilocularis neuropeptide Y receptor 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0048 0.0114
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Echinococcus multilocularis neuropeptides capa receptor 0.1289 0.4186 1
Onchocerca volvulus 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Echinococcus multilocularis neuropeptide receptor A26 0.1289 0.4186 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.1289 0.4186 1
Echinococcus granulosus tar DNA binding protein 0.0062 0.0146 0.0233
Brugia malayi intermediate filament protein 0.0033 0.005 0.0119
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0059 0.0137 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.1289 0.4186 0.4157
Schistosoma mansoni myosin xvIII 0.1289 0.4186 0.4157
Echinococcus multilocularis g protein coupled receptor 0.1289 0.4186 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.1289 0.4186 1
Brugia malayi G protein-coupled receptor F59B2.13 0.1289 0.4186 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Onchocerca volvulus 0.1289 0.4186 1
Schistosoma mansoni biogenic amine receptor 0.1289 0.4186 0.4157
Onchocerca volvulus 0.1289 0.4186 1
Schistosoma mansoni neuropeptide F-like receptor 0.1289 0.4186 0.4157
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Schistosoma mansoni neuropeptide receptor 0.1289 0.4186 0.4157
Echinococcus multilocularis neuropeptide Y receptor 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0012 0.0029
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Echinococcus granulosus dro:myosuppressin receptor 0.1289 0.4186 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1289 0.4186 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1289 0.4186 1
Brugia malayi hypothetical protein 0.1289 0.4186 1
Brugia malayi sulfakinin receptor protein 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.1289 0.4186 1
Brugia malayi Dopamine receptor 0.1289 0.4186 1
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0146 0.0349
Echinococcus granulosus g protein coupled receptor 0.1289 0.4186 1
Brugia malayi larval opioid receptor 0.1289 0.4186 1
Brugia malayi GnHR receptor homolog 0.1289 0.4186 1
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0059 0.0137 0.5
Echinococcus granulosus somatostatin receptor 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1289 0.4186 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0146 0.0349
Mycobacterium leprae SECRETED ANTIGEN 85-C FBPC (85C) (ANTIGEN 85 COMPLEX C) (AG58C) (MYCOLYL TRANSFERASE 85C) (FIBRONECTIN-BINDING PROTEIN C) 0.0924 0.2985 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1289 0.4186 1
Echinococcus granulosus biogenic amine 5HT receptor 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.1289 0.4186 1
Echinococcus granulosus serotonin receptor 0.1289 0.4186 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.1289 0.4186 1
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0059 0.0137 0.021
Brugia malayi Melatonin receptor type 1A 0.1289 0.4186 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0146 0.0097
Onchocerca volvulus 0.1289 0.4186 1
Loa Loa (eye worm) TYRA-2 protein 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.1289 0.4186 1
Loa Loa (eye worm) CYP4Cod1 0.0034 0.0054 0.013
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Schistosoma mansoni amine GPCR 0.1289 0.4186 0.4157
Brugia malayi gonadotropin-releasing hormone receptor 2 0.1289 0.4186 1
Onchocerca volvulus 0.1289 0.4186 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.1289 0.4186 0.4157
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0146 0.0349
Brugia malayi G-protein coupled receptor 0.1289 0.4186 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.1289 0.4186 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.1289 0.4186 1
Brugia malayi hypothetical protein 0.1289 0.4186 1
Brugia malayi Serotonin receptor 0.1289 0.4186 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0146 0.0097
Echinococcus multilocularis rhodopsin orphan GPCR 0.1289 0.4186 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0146 0.0097
Schistosoma mansoni neuropeptide receptor 0.1289 0.4186 0.4157
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1289 0.4186 0.4157
Schistosoma mansoni histamine h1 receptor 0.1289 0.4186 0.4157
Brugia malayi hypothetical protein 0.1289 0.4186 1
Brugia malayi G-protein coupled receptor 0.1289 0.4186 1
Onchocerca volvulus 0.1289 0.4186 1
Echinococcus multilocularis allatostatin A receptor 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1289 0.4186 0.4157
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.1289 0.4186 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1289 0.4186 0.4157
Schistosoma mansoni amine GPCR 0.1289 0.4186 0.4157
Loa Loa (eye worm) hypothetical protein 0.0059 0.0137 0.0327
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.1289 0.4186 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Brugia malayi Dopamine receptor protein 1 0.1289 0.4186 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.1289 0.4186 0.4157
Echinococcus multilocularis somatostatin receptor 0.1289 0.4186 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.005 0.0119
Echinococcus granulosus neuropeptide FF receptor 2 0.1289 0.4186 1
Schistosoma mansoni neuropeptide f receptor 76f 0.1289 0.4186 0.4157
Echinococcus multilocularis rhodopsin orphan GPCR 0.1289 0.4186 1
Mycobacterium ulcerans secreted antigen 85-B FbpB 0.0039 0.0072 0.0059
Echinococcus granulosus sex peptide receptor 0.1289 0.4186 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0146 0.0233
Echinococcus multilocularis neuropeptide s receptor 0.1289 0.4186 1
Plasmodium falciparum plasmepsin IV 0.0059 0.0137 0.5
Mycobacterium ulcerans hypothetical protein 0.0039 0.0072 0.0059
Echinococcus granulosus neuropeptide receptor A26 0.1289 0.4186 1
Echinococcus granulosus biogenic amine 5HT receptor 0.1289 0.4186 1
Echinococcus granulosus tm gpcr rhodopsin 0.1289 0.4186 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1289 0.4186 1
Schistosoma mansoni adenoreceptor 0.1289 0.4186 0.4157
Echinococcus granulosus neuropeptide receptor 0.1289 0.4186 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.005 0.0119
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.1289 0.4186 0.4157
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0146 0.0097
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Mycobacterium ulcerans hypothetical protein 0.0039 0.0072 0.0059
Echinococcus multilocularis rhodopsin orphan GPCR 0.1289 0.4186 1
Brugia malayi neuropeptide F receptor 0.1289 0.4186 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.1289 0.4186 0.4157
Onchocerca volvulus 0.1289 0.4186 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.1289 0.4186 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.1289 0.4186 1
Onchocerca volvulus 0.1289 0.4186 1
Onchocerca volvulus 0.1289 0.4186 1
Onchocerca volvulus 0.1289 0.4186 1
Trypanosoma brucei cytochrome P450, putative 0.0034 0.0054 0.5
Schistosoma mansoni hypothetical protein 0.1289 0.4186 0.4157
Schistosoma mansoni opsin-like receptor 0.1289 0.4186 0.4157
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.1289 0.4186 0.4157
Echinococcus multilocularis biogenic amine (5HT) receptor 0.1289 0.4186 1
Brugia malayi Esterase D 0.0039 0.0072 0.0172
Brugia malayi RNA binding protein 0.0062 0.0146 0.0349
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1289 0.4186 0.4157
Echinococcus granulosus neuropeptide Y receptor 0.1289 0.4186 1
Brugia malayi hypothetical protein 0.1289 0.4186 1
Echinococcus multilocularis neuropeptides capa receptor 0.1289 0.4186 1
Brugia malayi follicle stimulating hormone receptor 0.1289 0.4186 1
Onchocerca volvulus 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Brugia malayi putative neuropeptide receptor NPR1 0.1289 0.4186 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1289 0.4186 1
Loa Loa (eye worm) neuropeptide F receptor 0.1289 0.4186 1
Echinococcus multilocularis S formylglutathione hydrolase 0.0039 0.0072 0.0053
Echinococcus granulosus rhodopsin orphan GPCR 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.1289 0.4186 0.4157
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.1289 0.4186 1
Mycobacterium ulcerans secreted antigen 85-C FbpC 0.0924 0.2985 1
Echinococcus granulosus neuropeptide receptor 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Schistosoma mansoni cathepsin D (A01 family) 0.0174 0.0515 0.0468
Schistosoma mansoni cathepsin D (A01 family) 0.0174 0.0515 0.0468
Loa Loa (eye worm) cytochrome P450 family protein 0.0034 0.0054 0.013
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0059 0.0137 0.0327
Echinococcus multilocularis dro:myosuppressin receptor 0.1289 0.4186 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.1289 0.4186 0.4157
Schistosoma mansoni biogenic amine (dopamine) receptor 0.1289 0.4186 0.4157
Brugia malayi AKH receptor 0.1289 0.4186 1
Brugia malayi Dopamine receptor protein 2 0.1289 0.4186 1
Echinococcus granulosus 7tm_1 domain containing protein 0.1289 0.4186 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.1289 0.4186 1
Brugia malayi hypothetical protein 0.1289 0.4186 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1289 0.4186 1
Echinococcus granulosus hypothetical protein 0.1289 0.4186 1
Echinococcus granulosus neuropeptides capa receptor 0.1289 0.4186 1
Brugia malayi G protein-coupled receptor 0.1289 0.4186 1
Trypanosoma cruzi cytochrome P450, putative 0.0034 0.0054 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1289 0.4186 0.4157
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1289 0.4186 0.4157
Onchocerca volvulus 0.1289 0.4186 1
Brugia malayi neuropeptide F receptor 0.1289 0.4186 1
Schistosoma mansoni growth hormone secretagogue receptor 0.1289 0.4186 0.4157
Echinococcus granulosus G protein coupled receptor 139 0.1289 0.4186 1
Echinococcus granulosus g protein coupled receptor 0.1289 0.4186 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.1289 0.4186 1
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0556 0.1771 0.173
Echinococcus granulosus tm gpcr rhodopsin 0.1289 0.4186 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.1289 0.4186 1
Onchocerca volvulus 0.1289 0.4186 1
Loa Loa (eye worm) G-protein coupled receptor 0.1289 0.4186 1
Schistosoma mansoni biogenic amine receptor 0.1289 0.4186 0.4157
Loa Loa (eye worm) G-protein coupled receptor 0.1289 0.4186 1
Brugia malayi Cytochrome P450 family protein 0.0034 0.0054 0.013
Echinococcus granulosus rhodopsin orphan GPCR 0.1289 0.4186 1
Loa Loa (eye worm) RNA binding protein 0.0062 0.0146 0.0349
Echinococcus multilocularis tachykinin peptides receptor 99D 0.1289 0.4186 1
Brugia malayi hypothetical protein 0.1289 0.4186 1
Mycobacterium ulcerans secreted antigen 85-A FbpA 0.0039 0.0072 0.0059
Schistosoma mansoni amine GPCR 0.1289 0.4186 0.4157
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Echinococcus granulosus allatostatin A receptor 0.1289 0.4186 1
Schistosoma mansoni hypothetical protein 0.1289 0.4186 0.4157
Toxoplasma gondii aspartyl protease ASP1 0.0059 0.0137 0.5
Onchocerca volvulus 0.1289 0.4186 1
Brugia malayi Serotonin receptor 0.1289 0.4186 1
Schistosoma mansoni neuropeptide receptor 0.1289 0.4186 0.4157
Echinococcus multilocularis orexin receptor type 2 0.1289 0.4186 1
Trypanosoma cruzi cytochrome P450, putative 0.0034 0.0054 0.5
Brugia malayi TAR-binding protein 0.0062 0.0146 0.0349
Brugia malayi ORL1-like opioid receptor 0.1289 0.4186 1
Echinococcus multilocularis serotonin receptor 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Plasmodium falciparum plasmepsin I 0.0059 0.0137 0.5
Plasmodium falciparum plasmepsin II 0.0059 0.0137 0.5
Schistosoma mansoni neuropeptide receptor 0.1289 0.4186 0.4157
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Brugia malayi Cytochrome P450 family protein 0.0034 0.0054 0.013
Echinococcus multilocularis G protein coupled receptor 139 0.1289 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.1289 0.4186 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1289 0.4186 0.4157
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.1289 0.4186 0.4157
Schistosoma mansoni hypothetical protein 0.1289 0.4186 0.4157
Entamoeba histolytica endo-1,4-beta-xylanase, putative 0.0039 0.0072 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.1289 0.4186 0.4157
Schistosoma mansoni peptide (allatostatin)-like receptor 0.1289 0.4186 0.4157
Loa Loa (eye worm) cytochrome P450 family protein 0.0034 0.0054 0.013

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 4.95 uM Protease inhibitory activity of the compound against HIV-1 r13363 mutant strain was determined ChEMBL. 15771440
EC50 (functional) = 5.75 uM Protease inhibitory activity of the compound against HIV-1 GSS004421 mutant strain was determined ChEMBL. 15771440
EC50 (functional) = 6.01 uM Protease inhibitory activity of the compound against HIV-1 r13034 mutant strain was determined ChEMBL. 15771440
EC50 (functional) = 6.43 uM Protease inhibitory activity of the compound against HIV-1 r13025 mutant strain was determined ChEMBL. 15771440
EC50 (functional) = 7.36 uM Protease inhibitory activity of the compound against wild type HIV-1 IIIB was determined ChEMBL. 15771440
IC50 (functional) = 150 nM Inhibitory concentration for antiviral inhibition against HIV-1 in MT-4 cell culture ChEMBL. 15975788
IC50 (functional) = 440 nM Inhibitory concentration against multi-PI resistant EP13 in MT-4 cell lines(fold range = 3) ChEMBL. 15975788
IC50 (functional) > 1000 nM Inhibitory concentration against multi-PI resistant D545701 in MT-4 cell lines(fold range > 7) ChEMBL. 15975788
Ki (binding) = 0.04 nM Inhibition constant against HIV-1 protease ChEMBL. 15975788
pCC50 (functional) < 4.49 uM Toxicity value of the compound against wild type HIV-1 IIIB was determined ChEMBL. 15771440
Potency (functional) 26.8325 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference

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

2 literature references were collected for this gene.

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