Detailed information for compound 180738

Basic information

Technical information
  • TDR Targets ID: 180738
  • Name: benzyl N-[(2S)-1-[(2S)-2-[[(3S)-6-amino-5,5-d ifluoro-2-methyl-4-oxohexan-3-yl]carbamoyl]py rrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carba mate
  • MW: 510.574 | Formula: C25H36F2N4O5
  • H donors: 3 H acceptors: 4 LogP: 3.05 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: NCC(C(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1)(F)F
  • InChi: 1S/C25H36F2N4O5/c1-15(2)19(21(32)25(26,27)14-28)29-22(33)18-11-8-12-31(18)23(34)20(16(3)4)30-24(35)36-13-17-9-6-5-7-10-17/h5-7,9-10,15-16,18-20H,8,11-14,28H2,1-4H3,(H,29,33)(H,30,35)/t18-,19-,20-/m0/s1
  • InChiKey: LCAIRYPZVCLRKX-UFYCRDLUSA-N  


Substructure search Similarity search

Network

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Synonyms

  • benzyl N-[(1S)-1-[(2S)-2-[[(1S)-4-amino-3,3-difluoro-1-isopropyl-2-oxo-butyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
  • N-[(1S)-1-[[(2S)-2-[[[(1S)-4-amino-3,3-difluoro-1-isopropyl-2-oxobutyl]amino]-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-2-methylpropyl]carbamic acid benzyl ester
  • phenylmethyl N-[(2S)-1-[(2S)-2-[[(3S)-6-azanyl-5,5-difluoro-2-methyl-4-oxo-hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxo-butan-2-yl]carbamate
  • N-[(1S)-1-[(2S)-2-[[(1S)-4-amino-3,3-difluoro-1-isopropyl-2-keto-butyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamic acid benzyl ester
  • phenylmethyl N-[(2S)-1-[(2S)-2-[[(3S)-6-amino-5,5-difluoro-2-methyl-4-oxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
  • phenylmethyl N-[(1S)-1-[(2S)-2-[[(1S)-4-amino-3,3-difluoro-1-isopropyl-2-oxo-butyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
  • N-[(1S)-1-[[(2S)-2-[[[(1S)-4-amino-3,3-difluoro-1-isopropyl-2-oxobutyl]amino]-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-2-methylpropyl]carbamic acid phenylmethyl ester
  • phenylmethyl N-[(2S)-1-[(2S)-2-[[(3S)-6-amino-5,5-difluoro-2-methyl-4-oxo-hexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxo-butan-2-yl]carbamate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens elastase, neutrophil expressed Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus transmembrane protease serine 3 elastase, neutrophil expressed 267 aa 236 aa 27.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus rhodopsin orphan GPCR 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0091 0.1637 0.3074
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0091 0.1637 0.3074
Schistosoma mansoni hypothetical protein 0.0091 0.1637 0.3074
Echinococcus granulosus sex peptide receptor 0.0091 0.1637 0.3074
Brugia malayi jmjC domain containing protein 0.01 0.1885 0.354
Onchocerca volvulus 0.0039 0.0211 0.1291
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Echinococcus granulosus neuropeptide receptor A26 0.0091 0.1637 0.3074
Brugia malayi Dopamine receptor 0.0091 0.1637 0.3074
Echinococcus multilocularis acetylcholinesterase 0.0228 0.5325 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0091 0.1637 0.3074
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0091 0.1637 0.3074
Echinococcus multilocularis g protein coupled receptor 0.0091 0.1637 0.3074
Echinococcus multilocularis inositol monophosphatase 1 0.0076 0.1219 0.2289
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Onchocerca volvulus 0.0091 0.1637 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Brugia malayi RE15519p 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0228 0.5325 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0039 0.0211 0.0397
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0588 0.1104
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0588 0.1104
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0174 0.0327
Echinococcus granulosus rhodopsin orphan GPCR 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Brugia malayi hypothetical protein 0.0091 0.1637 0.3074
Brugia malayi Carboxylesterase family protein 0.0039 0.0211 0.0397
Echinococcus granulosus serotonin receptor 0.0091 0.1637 0.3074
Echinococcus multilocularis neuropeptide receptor 0.0091 0.1637 0.3074
Schistosoma mansoni adenoreceptor 0.0091 0.1637 0.3074
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0091 0.1637 0.3074
Echinococcus granulosus BC026374 protein S09 family 0.0039 0.0211 0.0397
Echinococcus multilocularis acetylcholinesterase 0.0228 0.5325 1
Schistosoma mansoni hypothetical protein 0.0036 0.014 0.0263
Echinococcus multilocularis rhodopsin orphan GPCR 0.0091 0.1637 0.3074
Echinococcus multilocularis BC026374 protein (S09 family) 0.0039 0.0211 0.0397
Echinococcus multilocularis dro:myosuppressin receptor 0.0091 0.1637 0.3074
Echinococcus multilocularis neuropeptides capa receptor 0.0091 0.1637 0.3074
Brugia malayi hypothetical protein 0.0091 0.1637 0.3074
Echinococcus multilocularis neuroligin 0.0039 0.0211 0.0397
Schistosoma mansoni biogenic amine receptor 0.0091 0.1637 0.3074
Onchocerca volvulus 0.0039 0.0211 0.1291
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.1219 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0091 0.1637 0.3074
Echinococcus granulosus inositol monophosphatase 1 0.0076 0.1219 0.2289
Echinococcus multilocularis neuropeptide s receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Echinococcus multilocularis serotonin receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Brugia malayi Dopamine receptor protein 2 0.0091 0.1637 0.3074
Schistosoma mansoni amine GPCR 0.0091 0.1637 0.3074
Brugia malayi hypothetical protein 0.0091 0.1637 0.3074
Schistosoma mansoni amine GPCR 0.0091 0.1637 0.3074
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Echinococcus granulosus acetylcholinesterase 0.0228 0.5325 1
Echinococcus multilocularis allatostatin A receptor 0.0091 0.1637 0.3074
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.1219 0.5
Echinococcus granulosus hypothetical protein 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Schistosoma mansoni amine GPCR 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Echinococcus multilocularis fmrfamide receptor 0.0091 0.1637 0.3074
Onchocerca volvulus 0.0091 0.1637 1
Brugia malayi sulfakinin receptor protein 0.0091 0.1637 0.3074
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0091 0.1637 0.3074
Brugia malayi Dopamine receptor protein 1 0.0091 0.1637 0.3074
Echinococcus multilocularis neuropeptide receptor A26 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0039 0.0211 0.0397
Onchocerca volvulus 0.0091 0.1637 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0091 0.1637 0.3074
Trichomonas vaginalis inositol monophosphatase, putative 0.0076 0.1219 1
Echinococcus multilocularis neuropeptide Y receptor 0.0091 0.1637 0.3074
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0091 0.1637 0.3074
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0174 0.0327
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0091 0.1637 0.3074
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0091 0.1637 0.3074
Schistosoma mansoni opsin-like receptor 0.0091 0.1637 0.3074
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0091 0.1637 0.3074
Schistosoma mansoni biogenic amine receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Echinococcus granulosus tm gpcr rhodopsin 0.0091 0.1637 0.3074
Brugia malayi G protein-coupled receptor F59B2.13 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0039 0.0211 0.0397
Onchocerca volvulus 0.0091 0.1637 1
Echinococcus granulosus g protein coupled receptor 0.0091 0.1637 0.3074
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0091 0.1637 0.3074
Onchocerca volvulus 0.0039 0.0211 0.1291
Echinococcus multilocularis rhodopsin orphan GPCR 0.0091 0.1637 0.3074
Echinococcus granulosus dro:myosuppressin receptor 0.0091 0.1637 0.3074
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0091 0.1637 0.3074
Brugia malayi AKH receptor 0.0091 0.1637 0.3074
Echinococcus granulosus somatostatin receptor 0.0091 0.1637 0.3074
Schistosoma mansoni inositol monophosphatase 0.0076 0.1219 0.2289
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0076 0.1219 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0091 0.1637 0.3074
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0114 0.2253 0.1177
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Onchocerca volvulus 0.0091 0.1637 1
Schistosoma mansoni hypothetical protein 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0052 0.0588 0.1104
Echinococcus multilocularis somatostatin receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Echinococcus granulosus carboxylesterase 5A 0.0228 0.5325 1
Schistosoma mansoni amine GPCR 0.0091 0.1637 0.3074
Loa Loa (eye worm) TYRA-2 protein 0.0091 0.1637 0.3074
Brugia malayi follicle stimulating hormone receptor 0.0091 0.1637 0.3074
Echinococcus granulosus acetylcholinesterase 0.0228 0.5325 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.01 0.1885 0.354
Brugia malayi hypothetical protein 0.0091 0.1637 0.3074
Plasmodium vivax hypothetical protein, conserved 0.0031 0 0.5
Onchocerca volvulus 0.0039 0.0211 0.1291
Brugia malayi hypothetical protein 0.0091 0.1637 0.3074
Echinococcus granulosus neuropeptide Y receptor 0.0091 0.1637 0.3074
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0091 0.1637 0.3074
Echinococcus multilocularis rhodopsin orphan GPCR 0.0091 0.1637 0.3074
Echinococcus multilocularis G protein coupled receptor 139 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0039 0.0211 0.0397
Echinococcus granulosus neuropeptide receptor 0.0091 0.1637 0.3074
Brugia malayi hypothetical protein 0.0091 0.1637 0.3074
Echinococcus multilocularis g protein coupled receptor 0.0091 0.1637 0.3074
Onchocerca volvulus 0.0091 0.1637 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0091 0.1637 0.3074
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0091 0.1637 0.3074
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0091 0.1637 0.3074
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0174 0.0327
Echinococcus multilocularis orexin receptor type 2 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Echinococcus granulosus neuroligin 0.0039 0.0211 0.0397
Echinococcus granulosus 7TM GPCR rhodopsin 0.0091 0.1637 0.3074
Onchocerca volvulus Neuropeptide F receptor homolog 0.0091 0.1637 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0076 0.1219 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0588 0.1104
Loa Loa (eye worm) carboxylesterase 0.0039 0.0211 0.0397
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Onchocerca volvulus 0.0091 0.1637 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0211 0.0397
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0091 0.1637 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0091 0.1637 0.3074
Brugia malayi Carboxylesterase family protein 0.0039 0.0211 0.0397
Plasmodium falciparum phd finger protein, putative 0.0031 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Echinococcus multilocularis para nitrobenzyl esterase 0.0039 0.0211 0.0397
Brugia malayi larval opioid receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Schistosoma mansoni biogenic amine (5HT) receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) G-protein coupled receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0039 0.0211 0.0397
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0091 0.1637 0.3074
Echinococcus multilocularis rhodopsin orphan GPCR 0.0091 0.1637 0.3074
Echinococcus granulosus g-protein coupled receptor 0.0091 0.1637 0.3074
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0091 0.1637 0.3074
Entamoeba histolytica hypothetical protein 0.0114 0.2253 0.1177
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0091 0.1637 0.3074
Brugia malayi G-protein coupled receptor 0.0091 0.1637 0.3074
Schistosoma mansoni neuropeptide receptor 0.0091 0.1637 0.3074
Echinococcus multilocularis sex peptide receptor 0.0091 0.1637 0.3074
Schistosoma mansoni opsin-like receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0091 0.1637 0.3074
Loa Loa (eye worm) carboxylesterase 0.0228 0.5325 1
Echinococcus granulosus neuropeptide receptor 0.0091 0.1637 0.3074
Brugia malayi hypothetical protein 0.0039 0.0211 0.0397
Brugia malayi G-protein coupled receptor 0.0091 0.1637 0.3074
Echinococcus multilocularis rhodopsin orphan GPCR 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.1219 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0091 0.1637 0.3074
Echinococcus granulosus G protein coupled receptor 139 0.0091 0.1637 0.3074
Echinococcus granulosus rhodopsin orphan GPCR 0.0091 0.1637 0.3074
Schistosoma mansoni neuroligin 3 (S09 family) 0.0039 0.0211 0.0397
Echinococcus multilocularis neuropeptide Y receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Brugia malayi hypothetical protein 0.0091 0.1637 0.3074
Schistosoma mansoni neuropeptide receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) acetylcholinesterase 1 0.0228 0.5325 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0174 0.0327
Schistosoma mansoni neuropeptide receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Brugia malayi G protein-coupled receptor 0.0091 0.1637 0.3074
Onchocerca volvulus 0.0091 0.1637 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Echinococcus granulosus fmrfamide receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0036 0.014 0.0263
Brugia malayi ORL1-like opioid receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0039 0.0211 0.0397
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Echinococcus multilocularis serotonin receptor 0.0091 0.1637 0.3074
Brugia malayi Inositol-1 0.0076 0.1219 0.2289
Schistosoma mansoni gliotactin 0.0039 0.0211 0.0397
Loa Loa (eye worm) neuropeptide F receptor 0.0091 0.1637 0.3074
Echinococcus granulosus tachykinin peptides receptor 99D 0.0091 0.1637 0.3074
Onchocerca volvulus 0.0091 0.1637 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0091 0.1637 0.3074
Schistosoma mansoni biogenic amine (5HT) receptor 0.0091 0.1637 0.3074
Echinococcus multilocularis neuropeptides capa receptor 0.0091 0.1637 0.3074
Echinococcus granulosus rhodopsin orphan GPCR 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Brugia malayi Carboxylesterase family protein 0.0228 0.5325 1
Brugia malayi Melatonin receptor type 1A 0.0091 0.1637 0.3074
Brugia malayi Carboxylesterase family protein 0.0039 0.0211 0.0397
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0091 0.1637 0.3074
Echinococcus granulosus neuropeptide s receptor 0.0091 0.1637 0.3074
Echinococcus multilocularis G-protein coupled receptor, putative 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Echinococcus granulosus neuropeptide Y receptor 0.0091 0.1637 0.3074
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0053 0.0592 0.1111
Brugia malayi Tachykinin-like peptides receptor 99D 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Echinococcus multilocularis g protein coupled receptor 0.0091 0.1637 0.3074
Echinococcus multilocularis neuropeptide FF receptor 2 0.0091 0.1637 0.3074
Echinococcus multilocularis neuropeptide receptor 0.0091 0.1637 0.3074
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0039 0.0211 0.0397
Echinococcus granulosus tm gpcr rhodopsin 0.0091 0.1637 0.3074
Brugia malayi hypothetical protein 0.0091 0.1637 0.3074
Schistosoma mansoni hypothetical protein 0.0091 0.1637 0.3074
Echinococcus multilocularis rhodopsin orphan GPCR 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0091 0.1637 0.3074
Schistosoma mansoni inositol monophosphatase 0.0076 0.1219 0.2289
Echinococcus granulosus rhodopsin orphan GPCR 0.0091 0.1637 0.3074
Echinococcus granulosus rhodopsin orphan GPCR 0.0091 0.1637 0.3074
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0039 0.0211 0.0397
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0091 0.1637 0.3074
Echinococcus multilocularis rhodopsin orphan GPCR 0.0091 0.1637 0.3074
Onchocerca volvulus 0.0091 0.1637 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0091 0.1637 0.3074
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0039 0.0211 0.0397
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.1219 0.5
Echinococcus granulosus g protein coupled receptor 0.0091 0.1637 0.3074
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0091 0.1637 0.3074
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0091 0.1637 0.3074
Echinococcus granulosus allatostatin A receptor 0.0091 0.1637 0.3074
Echinococcus granulosus neuropeptides capa receptor 0.0091 0.1637 0.3074
Brugia malayi neuropeptide F receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Brugia malayi putative neuropeptide receptor NPR1 0.0091 0.1637 0.3074
Schistosoma mansoni amine GPCR 0.0091 0.1637 0.3074
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0228 0.5325 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0091 0.1637 0.3074
Onchocerca volvulus 0.0039 0.0211 0.1291
Brugia malayi Carboxylesterase family protein 0.0228 0.5325 1
Brugia malayi Carboxylesterase family protein 0.0039 0.0211 0.0397
Schistosoma mansoni neuropeptide F-like receptor 0.0091 0.1637 0.3074
Schistosoma mansoni myosin xvIII 0.0091 0.1637 0.3074
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Brugia malayi hypothetical protein 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0228 0.5325 1
Brugia malayi putative neuropeptide receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Schistosoma mansoni biogenic amine receptor 0.0091 0.1637 0.3074
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0091 0.1637 0.3074
Loa Loa (eye worm) inositol-1 0.0076 0.1219 0.2289
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0091 0.1637 0.3074
Schistosoma mansoni neuropeptide f receptor 76f 0.0091 0.1637 0.3074
Echinococcus multilocularis g-protein coupled receptor 0.0091 0.1637 0.3074
Schistosoma mansoni neuropeptide F-like receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Schistosoma mansoni alpha-1 adrenergic receptor 0.0091 0.1637 0.3074
Echinococcus multilocularis carboxylesterase 5A 0.0228 0.5325 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0091 0.1637 0.3074
Loa Loa (eye worm) neuropeptide F receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0039 0.0211 0.0397
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Echinococcus granulosus neuropeptide FF receptor 2 0.0091 0.1637 0.3074
Echinococcus granulosus 7tm_1 domain containing protein 0.0091 0.1637 0.3074
Brugia malayi GnHR receptor homolog 0.0091 0.1637 0.3074
Onchocerca volvulus 0.0091 0.1637 1
Echinococcus granulosus para nitrobenzyl esterase 0.0039 0.0211 0.0397
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.014 0.0263
Schistosoma mansoni jumonji domain containing protein 0.008 0.1327 0.2492
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0076 0.1219 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0091 0.1637 0.3074
Loa Loa (eye worm) melatonin receptor type 1A 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0324 0.0609
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0091 0.1637 0.3074
Brugia malayi jmjC domain containing protein 0.0037 0.0174 0.0327
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0091 0.1637 0.3074
Echinococcus multilocularis fmrfamide receptor 0.0091 0.1637 0.3074
Onchocerca volvulus 0.0091 0.1637 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0091 0.1637 0.3074
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0324 0.0609
Schistosoma mansoni opsin-like receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Echinococcus granulosus alpha 1A adrenergic receptor 0.0091 0.1637 0.3074
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0068 0.1004 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0091 0.1637 0.3074
Schistosoma mansoni acetylcholinesterase 0.0039 0.0211 0.0397
Schistosoma mansoni hypothetical protein 0.0091 0.1637 0.3074
Brugia malayi hypothetical protein 0.0091 0.1637 0.3074
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) G-protein coupled receptor 0.0091 0.1637 0.3074
Echinococcus granulosus tm gpcr rhodopsin 0.0091 0.1637 0.3074
Schistosoma mansoni neuropeptide receptor 0.0091 0.1637 0.3074
Onchocerca volvulus 0.0091 0.1637 1
Brugia malayi Serotonin receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0091 0.1637 0.3074
Schistosoma mansoni BC026374 protein (S09 family) 0.0039 0.0211 0.0397
Onchocerca volvulus 0.0091 0.1637 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0091 0.1637 0.3074
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0076 0.1219 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0091 0.1637 0.3074
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0091 0.1637 0.3074
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0068 0.1004 1
Brugia malayi neuropeptide F receptor 0.0091 0.1637 0.3074
Giardia lamblia DNA repair protein RAD52 0.0401 1 1
Echinococcus granulosus orexin receptor type 2 0.0091 0.1637 0.3074
Onchocerca volvulus 0.0091 0.1637 1
Loa Loa (eye worm) carboxylesterase 0.0039 0.0211 0.0397
Echinococcus granulosus neuropeptides capa receptor 0.0091 0.1637 0.3074
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.01 0.1885 0.354
Schistosoma mansoni histamine h1 receptor 0.0091 0.1637 0.3074
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0039 0.0211 0.0397
Onchocerca volvulus 0.0091 0.1637 1
Onchocerca volvulus 0.0091 0.1637 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Echinococcus granulosus g protein coupled receptor 0.0091 0.1637 0.3074
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0882 0.1657
Loa Loa (eye worm) hypothetical protein 0.0091 0.1637 0.3074
Brugia malayi Serotonin receptor 0.0091 0.1637 0.3074
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0091 0.1637 0.3074
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0091 0.1637 0.3074
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0174 0.0327
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0076 0.1219 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 130 nM Binding affinity for human leukocyte elastase ChEMBL. 9379436
Ki (binding) = 130 nM Binding affinity for human leukocyte elastase ChEMBL. 9379436

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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