Detailed information for compound 161084

Basic information

Technical information
  • TDR Targets ID: 161084
  • Name: (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5 -(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methox yoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-(4 -propan-2-ylphenyl)-3,4-dihydro-2H-pyran-6-ca rboxamide
  • MW: 576.552 | Formula: C26H32N4O11
  • H donors: 6 H acceptors: 7 LogP: -1.62 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 3
  • SMILES: CO[C@@H]1[C@H](O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O)[C@H](C(=O)N)O[C@H]1OC(=C[C@@H]([C@@H]1O)O)C(=O)Nc1ccc(cc1)C(C)C
  • InChi: 1S/C26H32N4O11/c1-11(2)12-4-6-13(7-5-12)28-23(36)15-10-14(31)17(33)25(39-15)41-21(22(27)35)20-19(38-3)18(34)24(40-20)30-9-8-16(32)29-26(30)37/h4-11,14,17-21,24-25,31,33-34H,1-3H3,(H2,27,35)(H,28,36)(H,29,32,37)/t14-,17-,18+,19-,20-,21+,24+,25+/m0/s1
  • InChiKey: DTRXPLQFKACNPM-QNFDJTDDSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-oxo-ethoxy]-3,4-dihydroxy-N-(4-isopropylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
  • (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-3-methoxy-2-tetrahydrofuranyl]-2-oxoethoxy]-3,4-dihydroxy-N-(4-isopropylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
  • (2S,3S,4S)-2-[(1R)-2-azanyl-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-oxolan-2-yl]-2-oxo-ethoxy]-3,4-dihydroxy-N-(4-propan-2-ylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
  • (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-keto-ethoxy]-3,4-dihydroxy-N-p-cumenyl-3,4-dihydro-2H-pyran-6-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-4,5-dihydroxy-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-oxo-ethoxy]-4,5-dihydroxy-N-(4-isopropylphenyl)-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-3-methoxy-2-tetrahydrofuranyl]-2-oxoethoxy]-4,5-dihydroxy-N-(4-isopropylphenyl)-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydrofuran-2-yl]-2-keto-ethoxy]-4,5-dihydroxy-N-(4-isopropylphenyl)-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxy-oxolan-2-yl]-2-oxo-ethoxy]-4,5-dihydroxy-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-pyran-2-carboxamide
  • (4S,5S,6S)-6-{(R)-1-Carbamoyl-1-[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-4-hydroxy-3-methoxy-tetrahydro-furan-2-yl]-methoxy}-4,5-dihydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid (4-isopropyl-phenyl)-amide
  • AIDS-189165
  • AIDS189165

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli phospho-N-acetylmuramoyl-pentapeptide transferase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) Get druggable targets OG5_131597 All targets in OG5_131597
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX Get druggable targets OG5_131597 All targets in OG5_131597
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase Get druggable targets OG5_131597 All targets in OG5_131597
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase Get druggable targets OG5_131597 All targets in OG5_131597
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX Get druggable targets OG5_131597 All targets in OG5_131597
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase Get druggable targets OG5_131597 All targets in OG5_131597
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
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0055 0.009 0.009
Onchocerca volvulus 0.0076 0.0221 0.1668
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0076 0.0221 0.0282
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0224 0.0398
Loa Loa (eye worm) hypothetical protein 0.0128 0.0545 0.0545
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0076 0.0221 0.0221
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0224 0.0398
Echinococcus granulosus rhodopsin orphan GPCR 0.0076 0.0221 0.0221
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0076 0.0224 0.0224
Echinococcus multilocularis rhodopsin orphan GPCR 0.0076 0.0221 0.0282
Trichomonas vaginalis retinoblastoma binding protein, putative 0.007 0.0183 0.0324
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0224 0.0398
Schistosoma mansoni amine GPCR 0.0076 0.0221 0.0221
Echinococcus granulosus tachykinin peptides receptor 99D 0.0076 0.0221 0.0221
Echinococcus granulosus g protein coupled receptor 0.0076 0.0221 0.0221
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0076 0.0221 0.0221
Loa Loa (eye worm) neuropeptide F receptor 0.0076 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0076 0.0221 0.0282
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0076 0.0221 0.0221
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0189 0.0927 0.0927
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0076 0.0221 0.0221
Plasmodium falciparum subtilisin-like protease 1 0.0076 0.0224 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Leishmania major subtilisin-like serine peptidase 0.0076 0.0224 0.3313
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0076 0.0221 0.1668
Trichomonas vaginalis conserved hypothetical protein 0.0346 0.1901 0.3375
Trichomonas vaginalis conserved hypothetical protein 0.0346 0.1901 0.3375
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0446 0.2527 0.2527
Echinococcus multilocularis rhodopsin orphan GPCR 0.0076 0.0221 0.0282
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0055 0.009 0.009
Brugia malayi hypothetical protein 0.0076 0.0221 0.0221
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0076 0.0221 0.0282
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0446 0.2527 0.4484
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0076 0.0221 0.0282
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Echinococcus granulosus alpha 1A adrenergic receptor 0.0076 0.0221 0.0221
Onchocerca volvulus 0.0076 0.0221 0.1668
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Toxoplasma gondii subtilisin SUB12 0.0091 0.0313 0.2754
Schistosoma mansoni biogenic amine receptor 0.0076 0.0221 0.0221
Brugia malayi AKH receptor 0.0076 0.0221 0.0221
Trypanosoma brucei subtilisin peptidase 0.0076 0.0224 0.3313
Onchocerca volvulus 0.0076 0.0221 0.1668
Loa Loa (eye worm) hypothetical protein 0.007 0.0183 0.0183
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0224 0.0398
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0076 0.0221 0.0282
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0076 0.0221 0.0221
Onchocerca volvulus 0.0076 0.0224 0.175
Brugia malayi sulfakinin receptor protein 0.0076 0.0221 0.0221
Brugia malayi G protein-coupled receptor F59B2.13 0.0076 0.0221 0.0221
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0896 0.5331 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.01 0.0374 0.0664
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0224 0.0398
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0076 0.0221 0.0221
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0224 0.0398
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0189 0.0927 0.1181
Echinococcus granulosus wd40 repeat 0.007 0.0183 0.0183
Schistosoma mansoni opsin-like receptor 0.0076 0.0221 0.0221
Brugia malayi hypothetical protein 0.0076 0.0221 0.0221
Onchocerca volvulus 0.0076 0.0221 0.1668
Echinococcus multilocularis epidermal growth factor receptor 0.0126 0.0533 0.068
Brugia malayi Tachykinin-like peptides receptor 99D 0.0076 0.0221 0.0221
Brugia malayi Subtilase family protein 0.0076 0.0224 0.0224
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0076 0.0221 0.0282
Echinococcus granulosus neuropeptide Y receptor 0.0076 0.0221 0.0221
Echinococcus multilocularis 0.13 0.7847 1
Echinococcus multilocularis allatostatin A receptor 0.0076 0.0221 0.0282
Echinococcus multilocularis serotonin receptor 0.0076 0.0221 0.0282
Echinococcus multilocularis neuropeptide FF receptor 2 0.0076 0.0221 0.0282
Brugia malayi hypothetical protein 0.0076 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Echinococcus multilocularis wd40 repeat 0.007 0.0183 0.0233
Brugia malayi G protein-coupled receptor 0.0076 0.0221 0.0221
Echinococcus granulosus rhodopsin orphan GPCR 0.0076 0.0221 0.0221
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0076 0.0221 0.0221
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0076 0.0221 0.0221
Echinococcus multilocularis serotonin receptor 0.0076 0.0221 0.0282
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0224 0.0398
Echinococcus granulosus 7tm_1 domain containing protein 0.0076 0.0221 0.0221
Schistosoma mansoni neuropeptide F-like receptor 0.0076 0.0221 0.0221
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0224 0.0398
Brugia malayi Melatonin receptor type 1A 0.0076 0.0221 0.0221
Schistosoma mansoni hypothetical protein 0.0076 0.0221 0.0221
Brugia malayi putative neuropeptide receptor NPR1 0.0076 0.0221 0.0221
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0076 0.0221 0.0282
Schistosoma mansoni biogenic amine (5HT) receptor 0.0076 0.0221 0.0221
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0224 0.0398
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0945 0.5634 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0446 0.2527 0.4484
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0189 0.0927 0.0927
Loa Loa (eye worm) TYRA-2 protein 0.0076 0.0221 0.0221
Echinococcus granulosus neuropeptide s receptor 0.0076 0.0221 0.0221
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0076 0.0224 0.0302
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0076 0.0221 0.0221
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0076 0.0221 0.0282
Echinococcus granulosus Furin 1 0.0446 0.2527 0.2527
Loa Loa (eye worm) hypothetical protein 0.1646 1 1
Echinococcus multilocularis neuropeptide receptor 0.0076 0.0221 0.0282
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0076 0.0224 0.0302
Plasmodium vivax subtilisin-like protease 1 0.0076 0.0224 1
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0945 0.5634 0.718
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0076 0.0221 0.0221
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0055 0.009 0.0115
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Echinococcus granulosus hypothetical protein 0.0076 0.0221 0.0221
Echinococcus granulosus g protein coupled receptor 0.0076 0.0221 0.0221
Schistosoma mansoni amine GPCR 0.0076 0.0221 0.0221
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0076 0.0221 0.0221
Echinococcus multilocularis G protein coupled receptor 139 0.0436 0.2466 0.3142
Echinococcus multilocularis neuropeptides capa receptor 0.0076 0.0221 0.0282
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0076 0.0221 0.0221
Onchocerca volvulus 0.0076 0.0221 0.1668
Onchocerca volvulus 0.0076 0.0221 0.1668
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0177 0.0849 0.1507
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.037 0.2051 0.364
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0076 0.0224 0.0302
Trichomonas vaginalis conserved hypothetical protein 0.0346 0.1901 0.3375
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Schistosoma mansoni site-1 peptidase (S08 family) 0.0076 0.0224 0.0224
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Echinococcus granulosus tm gpcr rhodopsin 0.0076 0.0221 0.0221
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0076 0.0224 0.3313
Echinococcus granulosus membrane bound transcription factor site 1 0.0076 0.0224 0.0224
Brugia malayi ORL1-like opioid receptor 0.0076 0.0221 0.0221
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0076 0.0224 0.0302
Brugia malayi Furin-like cysteine rich region family protein 0.0126 0.0533 0.0533
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0896 0.5331 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0076 0.0221 0.0221
Brugia malayi G-protein coupled receptor 0.0076 0.0221 0.0221
Echinococcus multilocularis rhodopsin orphan GPCR 0.0076 0.0221 0.0282
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0224 0.0398
Echinococcus granulosus serotonin receptor 0.0076 0.0221 0.0221
Loa Loa (eye worm) endoprotease bli-4 0.1646 1 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0076 0.0221 0.0282
Trichomonas vaginalis conserved hypothetical protein 0.0346 0.1901 0.3375
Trichomonas vaginalis conserved hypothetical protein 0.0346 0.1901 0.3375
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Echinococcus multilocularis g-protein coupled receptor 0.0076 0.0221 0.0282
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0076 0.0221 0.0221
Echinococcus multilocularis prolyl endopeptidase 0.0128 0.0545 0.0695
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0076 0.0221 0.0221
Onchocerca volvulus 0.0076 0.0221 0.1668
Schistosoma mansoni hypothetical protein 0.0076 0.0221 0.0221
Echinococcus multilocularis neuropeptide receptor A26 0.0076 0.0221 0.0282
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0076 0.0221 0.0221
Echinococcus granulosus peptide allatostatin:somatostatin 0.0076 0.0221 0.0221
Loa Loa (eye worm) TK/EGFR protein kinase 0.0126 0.0533 0.0533
Brugia malayi follicle stimulating hormone receptor 0.0076 0.0221 0.0221
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0224 0.0398
Brugia malayi hypothetical protein 0.0076 0.0221 0.0221
Echinococcus granulosus furin 0.1646 1 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Echinococcus granulosus tm gpcr rhodopsin 0.0076 0.0221 0.0221
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0346 0.1901 0.3375
Echinococcus multilocularis orexin receptor type 2 0.0076 0.0221 0.0282
Brugia malayi Serotonin receptor 0.0076 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Echinococcus multilocularis G-protein coupled receptor, putative 0.0076 0.0221 0.0282
Onchocerca volvulus 0.0076 0.0221 0.1668
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0076 0.0221 0.0221
Loa Loa (eye worm) proprotein convertase 2 0.0446 0.2527 0.2527
Echinococcus multilocularis g protein coupled receptor 0.0076 0.0221 0.0282
Brugia malayi proprotein convertase 2 0.1147 0.6892 0.6892
Brugia malayi celfurPC protein 0.13 0.7847 0.7847
Brugia malayi hypothetical protein 0.0076 0.0221 0.0221
Toxoplasma gondii prolyl endopeptidase 0.0128 0.0545 1
Echinococcus multilocularis Furin 1 0.0446 0.2527 0.322
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Loa Loa (eye worm) G-protein coupled receptor 0.0076 0.0221 0.0221
Schistosoma mansoni myosin xvIII 0.0076 0.0221 0.0221
Schistosoma mansoni adenoreceptor 0.0076 0.0221 0.0221
Echinococcus multilocularis neuropeptide Y receptor 0.0076 0.0221 0.0282
Schistosoma mansoni histamine h1 receptor 0.0076 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Giardia lamblia High cysteine membrane protein Group 2 0.0523 0.3006 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0076 0.0221 0.0221
Schistosoma mansoni neuropeptide receptor 0.0076 0.0221 0.0221
Brugia malayi hypothetical protein 0.0076 0.0221 0.0221
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0183 0.0324
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0076 0.0224 0.0302
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0076 0.0221 0.0282
Brugia malayi Dopamine receptor protein 2 0.0076 0.0221 0.0221
Echinococcus granulosus fmrfamide receptor 0.0076 0.0221 0.0221
Schistosoma mansoni voltage-gated potassium channel 0.0055 0.009 0.009
Loa Loa (eye worm) neuropeptide F receptor 0.0076 0.0221 0.0221
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0224 0.0398
Brugia malayi hypothetical protein 0.0076 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0055 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Echinococcus multilocularis neuropeptides capa receptor 0.0076 0.0221 0.0282
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0076 0.0224 0.0286
Onchocerca volvulus 0.0076 0.0221 0.1668
Schistosoma mansoni opsin-like receptor 0.0076 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0114 0.0461 0.0752
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0896 0.5331 1
Brugia malayi larval opioid receptor 0.0076 0.0221 0.0221
Echinococcus granulosus neuropeptides capa receptor 0.0076 0.0221 0.0221
Brugia malayi prolyl oligopeptidase family protein 0.0128 0.0545 0.0545
Loa Loa (eye worm) WD40 repeat protein 0.0065 0.0156 0.0156
Schistosoma mansoni neuropeptide receptor 0.0076 0.0221 0.0221
Echinococcus multilocularis neuropeptide s receptor 0.0076 0.0221 0.0282
Brugia malayi Dopamine receptor protein 1 0.0076 0.0221 0.0221
Echinococcus granulosus neuropeptides capa receptor 0.0076 0.0221 0.0221
Schistosoma mansoni biogenic amine receptor 0.0076 0.0221 0.0221
Schistosoma mansoni hypothetical protein 0.0346 0.1901 0.1901
Onchocerca volvulus 0.0076 0.0221 0.1668
Echinococcus multilocularis fmrfamide receptor 0.0076 0.0221 0.0282
Echinococcus granulosus sex peptide receptor 0.0076 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Schistosoma mansoni voltage-gated potassium channel 0.0055 0.009 0.009
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0076 0.0221 0.0221
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0076 0.0221 0.0221
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0076 0.0221 0.0221
Echinococcus granulosus somatostatin receptor 0.0076 0.0221 0.0221
Schistosoma mansoni opsin-like receptor 0.0076 0.0221 0.0221
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0224 0.0398
Loa Loa (eye worm) melatonin receptor type 1A 0.0076 0.0221 0.0221
Brugia malayi RE15519p 0.0076 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Brugia malayi Dopamine receptor 0.0076 0.0221 0.0221
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0076 0.0221 0.0221
Echinococcus multilocularis rhodopsin orphan GPCR 0.0076 0.0221 0.0282
Loa Loa (eye worm) subtilase 0.0076 0.0224 0.0224
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0224 0.0398
Echinococcus multilocularis rhodopsin orphan GPCR 0.0076 0.0221 0.0282
Trichomonas vaginalis WD repeat domain, putative 0.0065 0.0156 0.0277
Onchocerca volvulus 0.0076 0.0221 0.1668
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0224 0.0398
Schistosoma mansoni hypothetical protein 0.0065 0.0156 0.0156
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0076 0.0224 0.0302
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0076 0.0221 0.0221
Echinococcus multilocularis somatostatin receptor 0.0076 0.0221 0.0282
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0076 0.0221 0.0221
Onchocerca volvulus 0.0076 0.0221 0.1668
Onchocerca volvulus 0.0076 0.0221 0.1668
Echinococcus granulosus tm gpcr rhodopsin 0.0076 0.0221 0.0221
Echinococcus multilocularis rhodopsin orphan GPCR 0.0076 0.0221 0.0282
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.01 0.0374 0.0374
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Echinococcus multilocularis rhodopsin orphan GPCR 0.0076 0.0221 0.0282
Trichomonas vaginalis hypothetical protein 0.0346 0.1901 0.3375
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0446 0.2527 0.4484
Echinococcus granulosus G protein coupled receptor 139 0.0076 0.0221 0.0221
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0341 0.187 0.5
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Schistosoma mansoni voltage-gated potassium channel 0.0207 0.1035 0.1035
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Brugia malayi GnHR receptor homolog 0.0076 0.0221 0.0221
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0189 0.0927 0.0927
Onchocerca volvulus 0.0076 0.0221 0.1668
Schistosoma mansoni neuropeptide F-like receptor 0.0076 0.0221 0.0221
Echinococcus multilocularis protein will die slowly 0.0065 0.0156 0.0199
Plasmodium falciparum subtilisin-like protease 2 0.0076 0.0224 1
Plasmodium falciparum subtilisin-like protease 3 0.0076 0.0224 1
Echinococcus multilocularis neuropeptide Y receptor 0.0076 0.0221 0.0282
Brugia malayi neuropeptide F receptor 0.0076 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0076 0.0221 0.0221
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0076 0.0221 0.0221
Onchocerca volvulus 0.0076 0.0221 0.1668
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0076 0.0221 0.0221
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0341 0.187 0.5
Schistosoma mansoni hypothetical protein 0.0076 0.0221 0.0221
Brugia malayi hypothetical protein 0.0076 0.0221 0.0221
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0076 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Schistosoma mansoni alpha-1 adrenergic receptor 0.0076 0.0221 0.0221
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0076 0.0224 0.3313
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0076 0.0221 0.0221
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0224 0.0398
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0076 0.0221 0.0221
Echinococcus multilocularis fmrfamide receptor 0.0076 0.0221 0.0282
Echinococcus granulosus neuropeptide receptor 0.0436 0.2466 0.2466
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0076 0.0224 0.0302
Echinococcus granulosus neuropeptide receptor 0.0076 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Trichomonas vaginalis conserved hypothetical protein 0.0346 0.1901 0.3375
Brugia malayi hypothetical protein 0.0076 0.0221 0.0221
Plasmodium vivax subtilisin-like protease 2, putative 0.0076 0.0224 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0076 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0177 0.0849 0.1507
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0128 0.0545 0.0545
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0076 0.0224 0.0224
Echinococcus multilocularis g protein coupled receptor 0.0076 0.0221 0.0282
Echinococcus multilocularis neuropeptide receptor 0.0436 0.2466 0.3142
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0076 0.0224 0.3313
Echinococcus granulosus rhodopsin orphan GPCR 0.0076 0.0221 0.0221
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0076 0.0221 0.0282
Onchocerca volvulus Neuropeptide F receptor homolog 0.0076 0.0221 0.1668
Schistosoma mansoni growth hormone secretagogue receptor 0.0076 0.0221 0.0221
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0446 0.2527 0.4484
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0224 0.0398
Echinococcus granulosus rhodopsin orphan GPCR 0.0076 0.0221 0.0221
Trypanosoma brucei prolyl endopeptidase 0.0128 0.0545 1
Brugia malayi Hypothetical WD-repeat protein F21H12.1 in chromosome II 0.007 0.0183 0.0183
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Schistosoma mansoni amine GPCR 0.0076 0.0221 0.0221
Echinococcus granulosus biogenic amine 5HT receptor 0.0076 0.0221 0.0221
Echinococcus multilocularis voltage gated potassium channel 0.0055 0.009 0.0115
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Echinococcus granulosus rhodopsin orphan GPCR 0.0076 0.0221 0.0221
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0224 0.0398
Schistosoma mansoni hypothetical protein 0.0076 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0224 0.0398
Schistosoma mansoni tyrosine kinase 0.0126 0.0533 0.0533
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0224 0.0398
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0446 0.2527 0.4484
Loa Loa (eye worm) hypothetical protein 0.0164 0.0771 0.0771
Brugia malayi neuropeptide F receptor 0.0076 0.0221 0.0221
Echinococcus granulosus protein will die slowly 0.0065 0.0156 0.0156
Brugia malayi Serotonin receptor 0.0076 0.0221 0.0221
Onchocerca volvulus 0.0076 0.0221 0.1668
Brugia malayi G-protein coupled receptor 0.0076 0.0221 0.0221
Trichomonas vaginalis conserved hypothetical protein 0.0346 0.1901 0.3375
Brugia malayi neuroendocrine convertase 1 precursor 0.1299 0.7838 0.7838
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0224 0.0398
Loa Loa (eye worm) G-protein coupled receptor 0.0076 0.0221 0.0221
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0224 0.0398
Schistosoma mansoni neuropeptide receptor 0.0076 0.0221 0.0221
Schistosoma mansoni furin-1 (S08 family) 0.0777 0.459 0.459
Echinococcus granulosus allatostatin A receptor 0.0076 0.0221 0.0221
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0076 0.0221 0.0221
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0446 0.2527 0.4484
Trypanosoma cruzi subtilisin peptidase 0.0076 0.0224 0.3313
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0076 0.0224 0.0224
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0076 0.0221 0.0221
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0076 0.0221 0.0221
Echinococcus multilocularis rhodopsin orphan GPCR 0.0076 0.0221 0.0282
Trichomonas vaginalis conserved hypothetical protein 0.0346 0.1901 0.3375
Loa Loa (eye worm) hypothetical protein 0.0076 0.0224 0.0224
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0224 0.0398
Onchocerca volvulus 0.0076 0.0221 0.1668
Schistosoma mansoni amine GPCR 0.0076 0.0221 0.0221
Echinococcus granulosus rhodopsin orphan GPCR 0.0076 0.0221 0.0221
Schistosoma mansoni neuropeptide f receptor 76f 0.0076 0.0221 0.0221
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0076 0.0224 0.0224
Brugia malayi hypothetical protein 0.0076 0.0221 0.0221
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0896 0.5331 1
Echinococcus multilocularis sex peptide receptor 0.0076 0.0221 0.0282
Echinococcus granulosus g protein coupled receptor 0.0076 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Schistosoma mansoni amine GPCR 0.0076 0.0221 0.0221
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0128 0.0545 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0224 0.0398
Loa Loa (eye worm) hypothetical protein 0.0176 0.0844 0.0844
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0076 0.0221 0.0221
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0224 0.0398
Echinococcus granulosus 7TM GPCR rhodopsin 0.0076 0.0221 0.0221
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0076 0.0221 0.0221
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0076 0.0221 0.0282
Schistosoma mansoni retinoblastoma binding protein 0.007 0.0183 0.0183
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0128 0.0545 0.0545
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0945 0.5634 1
Onchocerca volvulus Prolyl endopeptidase homolog 0.0128 0.0545 1
Echinococcus granulosus voltage gated potassium channel 0.0055 0.009 0.009
Echinococcus granulosus neuropeptide FF receptor 2 0.0076 0.0221 0.0221
Echinococcus granulosus epidermal growth factor receptor 0.0126 0.0533 0.0533
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0076 0.0224 0.0302
Brugia malayi Will die slowly protein 0.0065 0.0156 0.0156
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0076 0.0221 0.0282
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0076 0.0221 0.0282
Schistosoma mansoni site-1 peptidase (S08 family) 0.0076 0.0224 0.0224
Plasmodium vivax subtilisin-like serine protease, putative 0.0076 0.0224 1
Echinococcus multilocularis g protein coupled receptor 0.0076 0.0221 0.0282
Mycobacterium leprae Possible secreted protease 0.0076 0.0224 0.0302
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0224 0.0398
Echinococcus granulosus orexin receptor type 2 0.0076 0.0221 0.0221
Schistosoma mansoni biogenic amine (5HT) receptor 0.0076 0.0221 0.0221
Echinococcus granulosus neuroendocrine convertase 2 0.1147 0.6892 0.6892
Loa Loa (eye worm) hypothetical protein 0.0725 0.4264 0.4264
Trypanosoma cruzi prolyl endopeptidase 0.0128 0.0545 1
Trichomonas vaginalis conserved hypothetical protein 0.0346 0.1901 0.3375
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0076 0.0221 0.0221
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0076 0.0221 0.0221
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.037 0.2051 0.364
Schistosoma mansoni biogenic amine receptor 0.0076 0.0221 0.0221
Brugia malayi putative neuropeptide receptor 0.0076 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Echinococcus granulosus dro:myosuppressin receptor 0.0076 0.0221 0.0221
Trichomonas vaginalis conserved hypothetical protein 0.0346 0.1901 0.3375
Echinococcus multilocularis neuroendocrine convertase 2 0.1147 0.6892 0.8783
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.1646 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0076 0.0221 0.0221
Trichomonas vaginalis conserved hypothetical protein 0.0346 0.1901 0.3375
Schistosoma mansoni voltage-gated potassium channel 0.0207 0.1035 0.1035
Echinococcus granulosus g-protein coupled receptor 0.0076 0.0221 0.0221
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0076 0.0224 0.0302
Echinococcus granulosus prolyl endopeptidase 0.0128 0.0545 0.0545
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0076 0.0224 0.0398
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0224 0.0398
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0945 0.5634 0.5634
Loa Loa (eye worm) hypothetical protein 0.0076 0.0221 0.0221
Echinococcus granulosus biogenic amine 5HT receptor 0.0076 0.0221 0.0221
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0076 0.0221 0.0221
Echinococcus granulosus rhodopsin orphan GPCR 0.0076 0.0221 0.0221
Schistosoma mansoni neuropeptide receptor 0.0436 0.2466 0.2466
Echinococcus multilocularis membrane bound transcription factor site 1 0.0076 0.0224 0.0286
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0076 0.0224 0.3313
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0076 0.0221 0.0282

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 120 ng ml-1 Inhibitory activity against translocase I ChEMBL. 14611838
IC50 (binding) = 120 ng ml-1 Inhibitory activity against translocase I ChEMBL. 14611838
MIC (functional) = 25 ug ml-1 Antimycobacterial activity against Mycobacterium smegmatis (SANK 75075) ChEMBL. 14611838

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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