Detailed information for compound 274740

Basic information

Technical information
  • TDR Targets ID: 274740
  • Name: N-(6-chloropyrimidin-4-yl)-N-(1-phenethylpipe ridin-4-yl)furan-3-carboxamide
  • MW: 410.897 | Formula: C22H23ClN4O2
  • H donors: 0 H acceptors: 3 LogP: 4.13 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ncnc(c1)N(C(=O)c1cocc1)C1CCN(CC1)CCc1ccccc1
  • InChi: 1S/C22H23ClN4O2/c23-20-14-21(25-16-24-20)27(22(28)18-9-13-29-15-18)19-7-11-26(12-8-19)10-6-17-4-2-1-3-5-17/h1-5,9,13-16,19H,6-8,10-12H2
  • InChiKey: ZSKZGWKJHBCCQP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(6-chloropyrimidin-4-yl)-N-(1-phenethyl-4-piperidyl)furan-3-carboxamide
  • N-(6-chloro-4-pyrimidinyl)-N-(1-phenethyl-4-piperidinyl)-3-furancarboxamide
  • N-(6-chloropyrimidin-4-yl)-N-(1-phenethyl-4-piperidyl)-3-furamide
  • N-(6-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide
  • N-(6-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)-4-piperidyl]furan-3-carboxamide
  • N-(6-chloro-4-pyrimidinyl)-N-[1-(2-phenylethyl)-4-piperidinyl]-3-furancarboxamide
  • N-(6-chloropyrimidin-4-yl)-N-[1-(2-phenylethyl)-4-piperidyl]-3-furamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Mu opioid receptor 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 thyrotropin releasing hormone receptor Mu opioid receptor   398 aa 370 aa 27.3 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Mu opioid receptor   398 aa 371 aa 27.0 %
Onchocerca volvulus Mu opioid receptor   398 aa 333 aa 26.4 %
Echinococcus multilocularis allatostatin A receptor Mu opioid receptor   398 aa 341 aa 29.3 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Mu opioid receptor   398 aa 334 aa 24.9 %
Onchocerca volvulus Programmed cell death protein 5 homolog Mu opioid receptor   398 aa 323 aa 24.1 %
Schistosoma japonicum Rhodopsin, putative Mu opioid receptor   398 aa 328 aa 23.2 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Mu opioid receptor   398 aa 397 aa 22.7 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Mu opioid receptor   398 aa 334 aa 23.1 %
Schistosoma mansoni neuropeptide F-like receptor Mu opioid receptor   398 aa 335 aa 20.6 %
Onchocerca volvulus Mu opioid receptor   398 aa 376 aa 26.3 %
Echinococcus granulosus allatostatin A receptor Mu opioid receptor   398 aa 346 aa 29.5 %
Onchocerca volvulus Mu opioid receptor   398 aa 356 aa 23.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni pol-related 0.0164 0.3195 0.3799
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0099 0.0093
Mycobacterium ulcerans oxidoreductase 0.0164 0.3195 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0242 0.0696
Loa Loa (eye worm) hypothetical protein 0.0079 0.1493 0.4637
Loa Loa (eye worm) oxidoreductase 0.0164 0.3195 1
Toxoplasma gondii ABC1 family protein 0.0079 0.1493 0.4235
Mycobacterium tuberculosis Probable hydrolase 0.0079 0.1493 0.1282
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0164 0.3195 0.3783
Entamoeba histolytica alcohol dehydrogenase, putative 0.0047 0.0865 0.1844
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0005 0.0021 0.0025
Trichomonas vaginalis aldo-keto reductase, putative 0.0164 0.3195 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0243 0.0697
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0079 0.1493 0.1282
Schistosoma mansoni biogenic amine (5HT) receptor 0.0005 0.0021 0.0025
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0164 0.3195 0.3783
Leishmania major hypothetical protein, conserved 0.0079 0.1493 0.4235
Trypanosoma cruzi aldo-keto reductase 0.0164 0.3195 1
Echinococcus multilocularis aldo keto reductase 0.0164 0.3195 0.3783
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.095 0.2926
Echinococcus granulosus cpg binding protein 0.0032 0.0545 0.0624
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0243 0.0697
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0164 0.3195 0.3783
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0005 0.0021 0.0025
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0079 0.1493 0.1282
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0164 0.3195 0.3783
Entamoeba histolytica aldose reductase, putative 0.0164 0.3195 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0005 0.0021 0.0025
Onchocerca volvulus 0.003 0.0511 0.1543
Plasmodium falciparum aldo-keto reductase, putative 0.0047 0.0865 1
Schistosoma mansoni hypothetical protein 0.0005 0.0021 0.0025
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0243 0.0264
Echinococcus multilocularis aldo keto reductase 0.0164 0.3195 0.3783
Onchocerca volvulus 0.0047 0.0865 0.2657
Mycobacterium tuberculosis Probable oxidoreductase 0.0164 0.3195 0.3026
Trypanosoma cruzi aldo/keto reductase, putative 0.0164 0.3195 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.095 0.2926
Toxoplasma gondii aldo-keto reductase 0.0047 0.0865 0.2107
Echinococcus multilocularis aldo keto reductase 0.0164 0.3195 0.3783
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0005 0.0021 0.0025
Schistosoma mansoni neuropeptide receptor 0.0005 0.0021 0.0025
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0164 0.3195 1
Schistosoma mansoni biogenic amine receptor 0.0005 0.0021 0.0025
Echinococcus multilocularis aldo keto reductase 0.0164 0.3195 0.3783
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0164 0.3195 0.3783
Trichomonas vaginalis aldo-keto reductase, putative 0.0047 0.0865 0.2591
Trichomonas vaginalis aldo-keto reductase, putative 0.0164 0.3195 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0005 0.0021 0.0025
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0164 0.3195 0.3783
Trichomonas vaginalis aldo-keto reductase, putative 0.0164 0.3195 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0005 0.0021 0.0025
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0047 0.0865 0.2657
Mycobacterium leprae Conserved hypothetical protein 0.0116 0.2245 0.5922
Mycobacterium tuberculosis Conserved protein 0.0047 0.0865 0.0638
Trichomonas vaginalis aldo-keto reductase, putative 0.0047 0.0865 0.2591
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0243 0.0264
Schistosoma mansoni alpha-1 adrenergic receptor 0.0005 0.0021 0.0025
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0164 0.3195 1
Echinococcus granulosus GPCR family 2 0.0016 0.0242 0.0263
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0338 0.076
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0099 0.0245
Schistosoma mansoni amine GPCR 0.0005 0.0021 0.0025
Trypanosoma brucei aldo/keto reductase, putative 0.0047 0.0865 0.2107
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0079 0.1493 0.4637
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0164 0.3195 0.3783
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0164 0.3195 1
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0097 0.0238
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0079 0.1493 0.1775
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0079 0.1493 0.1282
Onchocerca volvulus 0.0164 0.3195 1
Echinococcus granulosus aldo keto reductase 0.0164 0.3195 0.3783
Toxoplasma gondii aldose reductase, putative 0.0164 0.3195 1
Onchocerca volvulus 0.0164 0.3195 1
Mycobacterium ulcerans hypothetical protein 0.0079 0.1493 0.4043
Schistosoma mansoni myosin xvIII 0.0005 0.0021 0.0025
Echinococcus granulosus aldo keto reductase 0.0164 0.3195 0.3783
Echinococcus granulosus hypothetical protein 0.0164 0.3195 0.3783
Loa Loa (eye worm) oxidoreductase 0.0164 0.3195 1
Schistosoma mansoni biogenic amine receptor 0.0005 0.0021 0.0025
Schistosoma mansoni cpg binding protein 0.0032 0.0545 0.0648
Leishmania major prostaglandin f synthase, putative 0.0164 0.3195 1
Plasmodium vivax aldehyde reductase, putative 0.0047 0.0865 0.4975
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0005 0.0021 0.0025
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0164 0.3195 0.3783
Schistosoma mansoni opsin-like receptor 0.0005 0.0021 0.0025
Mycobacterium ulcerans esterase/lipase LipP 0.0079 0.1493 0.4043
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0338 0.0377
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0079 0.1493 0.4043
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0005 0.0021 0.0025
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0164 0.3195 1
Giardia lamblia Aldose reductase 0.0164 0.3195 1
Onchocerca volvulus 0.0164 0.3195 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0063 0.0049
Schistosoma mansoni amine GPCR 0.0005 0.0021 0.0025
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0338 0.0997
Plasmodium falciparum aldehyde reductase, putative 0.0047 0.0865 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0338 0.0097
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0338 0.0322
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0005 0.0021 0.0025
Schistosoma mansoni histamine h1 receptor 0.0005 0.0021 0.0025
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0338 0.0916
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0047 0.0865 0.1005
Onchocerca volvulus 0.0079 0.1493 0.4637
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0164 0.3195 1
Schistosoma mansoni hypothetical protein 0.0035 0.0622 0.074
Schistosoma mansoni amine GPCR 0.0005 0.0021 0.0025
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0079 0.1493 0.4637
Schistosoma mansoni opsin-like receptor 0.0005 0.0021 0.0025
Mycobacterium tuberculosis Conserved protein 0.0079 0.1493 0.1282
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0338 0.0997
Schistosoma mansoni cpg binding protein 0.003 0.0511 0.0608
Echinococcus multilocularis beta LACTamase domain containing family member 0.0079 0.1493 0.1754
Schistosoma mansoni amine GPCR 0.0005 0.0021 0.0025
Schistosoma mansoni adenoreceptor 0.0005 0.0021 0.0025
Loa Loa (eye worm) oxidoreductase 0.0164 0.3195 1
Onchocerca volvulus 0.0164 0.3195 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0164 0.3195 0.3783
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0047 0.0865 0.2591
Trypanosoma cruzi aldo/keto reductase, putative 0.0047 0.0865 0.2107
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0063 0.0049
Trichomonas vaginalis aldo-keto reductase, putative 0.0164 0.3195 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.095 0.2926
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0243 0.0264
Schistosoma mansoni growth hormone secretagogue receptor 0.0005 0.0021 0.0025
Echinococcus multilocularis voltage gated potassium channel subunit 0.0047 0.0865 0.1005
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0164 0.3195 0.3783
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0164 0.3195 0.3783
Brugia malayi beta-lactamase 0.0079 0.1493 0.4637
Brugia malayi NADH-dependent xylose reductase 0.0047 0.0865 0.2657
Schistosoma mansoni potassium channel beta 0.0047 0.0865 0.1028
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0047 0.0865 0.2107
Trichomonas vaginalis aldo-keto reductase, putative 0.0047 0.0865 0.2591
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0164 0.3195 0.3783
Loa Loa (eye worm) hypothetical protein 0.0079 0.1493 0.4637
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0338 0.5
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0047 0.0865 0.2657
Mycobacterium tuberculosis Probable esterase LipL 0.0079 0.1493 0.1282
Trichomonas vaginalis aldo-keto reductase, putative 0.0164 0.3195 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0242 0.0696
Echinococcus granulosus dnaJ subfamily B 0.0425 0.8411 1
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0047 0.0865 0.2107
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0242 0.0696
Trichomonas vaginalis aldo-keto reductase, putative 0.0164 0.3195 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0079 0.1493 0.1775
Brugia malayi beta-lactamase family protein 0.0079 0.1493 0.4637
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0338 0.1528
Schistosoma mansoni ap endonuclease 0.0021 0.0338 0.0401
Trypanosoma brucei aldo-keto reductase, putative 0.0164 0.3195 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0005 0.0021 0.0025
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0063 0.0049
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.118 0.1403
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0047 0.0865 0.4975
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0005 0.0021 0.0025
Schistosoma mansoni hypothetical protein 0.0016 0.0242 0.0288
Schistosoma mansoni neuropeptide receptor 0.0005 0.0021 0.0025
Brugia malayi beta-lactamase family protein 0.0079 0.1493 0.4637
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0005 0.0021 0.0025
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0005 0.0021 0.0025
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0164 0.3195 0.3783
Loa Loa (eye worm) hypothetical protein 0.0079 0.1493 0.4637
Trichomonas vaginalis penicillin-binding protein, putative 0.0079 0.1493 0.4589
Schistosoma mansoni ap endonuclease 0.0021 0.0338 0.0401
Schistosoma mansoni opsin-like receptor 0.0005 0.0021 0.0025
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0005 0.0021 0.0025
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0005 0.0021 0.0025
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.1493 0.4235
Toxoplasma gondii exonuclease III APE 0.0021 0.0338 0.0322
Loa Loa (eye worm) hypothetical protein 0.0079 0.1493 0.4637
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0242 0.0263
Mycobacterium tuberculosis Probable lipase LipD 0.0079 0.1493 0.1282
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0164 0.3195 0.3783
Echinococcus granulosus aldehyde reductase 0.0116 0.2245 0.265
Brugia malayi isocitrate dehydrogenase 0.0016 0.0243 0.0697
Giardia lamblia Aldose reductase 0.0164 0.3195 1
Loa Loa (eye worm) oxidoreductase 0.0164 0.3195 1
Schistosoma mansoni hypothetical protein 0.0005 0.0021 0.0025
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0005 0.0021 0.0025
Brugia malayi CXXC zinc finger family protein 0.003 0.0511 0.1543
Onchocerca volvulus 0.0079 0.1493 0.4637
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0005 0.0021 0.0025
Schistosoma mansoni neuropeptide F-like receptor 0.0005 0.0021 0.0025
Echinococcus granulosus voltage gated potassium channel subunit 0.0047 0.0865 0.1005
Echinococcus multilocularis cpg binding protein 0.0032 0.0545 0.0624
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0047 0.0865 0.2107
Mycobacterium tuberculosis Conserved protein 0.0079 0.1493 0.1282
Echinococcus multilocularis GPCR, family 2 0.0016 0.0242 0.0263
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0005 0.0021 0.0025
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0005 0.0021 0.0025
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0243 0.0264
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0005 0.0021 0.0025
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0338 0.0322
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0164 0.3195 0.3783
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0164 0.3195 0.3783
Loa Loa (eye worm) hypothetical protein 0.0035 0.0622 0.1894
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.095 0.2926
Entamoeba histolytica aldose reductase, putative 0.0164 0.3195 1
Trypanosoma brucei prostaglandin f synthase 0.0164 0.3195 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0164 0.3195 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0005 0.0021 0.0025
Onchocerca volvulus 0.0164 0.3195 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0865 0.2591
Schistosoma mansoni cpg binding protein 0.0032 0.0545 0.0648
Loa Loa (eye worm) hypothetical protein 0.0079 0.1493 0.4637
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0243 0.0264
Echinococcus multilocularis aldehyde reductase 0.0116 0.2245 0.265
Loa Loa (eye worm) hypothetical protein 0.0164 0.3195 1
Schistosoma mansoni aldo-keto reductase 0.0164 0.3195 0.3799
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.1493 0.4589
Plasmodium vivax hypothetical protein, conserved 0.0079 0.1493 1
Echinococcus granulosus aldo keto reductase 0.0164 0.3195 0.3783
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.1493 0.4235
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0164 0.3195 0.3783
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0338 0.0322
Mycobacterium leprae Probable lipase LipE 0.0079 0.1493 0.2696
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0338 0.0916
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0338 0.0377
Entamoeba histolytica aldose reductase, putative 0.0164 0.3195 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0242 0.0263
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0005 0.0021 0.0025
Schistosoma mansoni hypothetical protein 0.0425 0.8411 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0164 0.3195 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0338 0.0322
Schistosoma mansoni hypothetical protein 0.0016 0.0242 0.0288
Leishmania major aldo-keto reductase-like protein 0.0164 0.3195 1
Schistosoma mansoni biogenic amine receptor 0.0005 0.0021 0.0025
Trichomonas vaginalis aldo-keto reductase, putative 0.0164 0.3195 1
Schistosoma mansoni amine GPCR 0.0005 0.0021 0.0025
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0063 0.0049
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0164 0.3195 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0511 0.1543
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0242 0.0263
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0622 0.1894
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0063 0.0074
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.1493 0.4589
Loa Loa (eye worm) oxidoreductase 0.0164 0.3195 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0164 0.3195 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0005 0.0021 0.0025
Trichomonas vaginalis D-aminoacylase, putative 0.0079 0.1493 0.4589
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.1045 0.2716
Trichomonas vaginalis aldo-keto reductase, putative 0.0164 0.3195 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0164 0.3195 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0164 0.3195 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0338 0.5
Schistosoma mansoni hypothetical protein 0.0005 0.0021 0.0025
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0164 0.3195 0.3783
Onchocerca volvulus 0.0079 0.1493 0.4637
Mycobacterium ulcerans lipase LipD 0.0079 0.1493 0.4043
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0164 0.3195 0.3783
Mycobacterium ulcerans hypothetical protein 0.0047 0.0865 0.1844
Trypanosoma brucei hypothetical protein, conserved 0.0079 0.1493 0.4235
Mycobacterium ulcerans beta-lactamase 0.0079 0.1493 0.4043
Echinococcus granulosus beta LACTamase domain containing family member 0.0079 0.1493 0.1754
Mycobacterium tuberculosis Probable lipase LipE 0.0079 0.1493 0.1282
Schistosoma mansoni hypothetical protein 0.0016 0.0242 0.0288
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0242 0.0263
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0243 0.0264
Loa Loa (eye worm) beta-lactamase 0.0079 0.1493 0.4637
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0164 0.3195 0.3783
Schistosoma mansoni neuropeptide F-like receptor 0.0005 0.0021 0.0025
Schistosoma mansoni neuropeptide receptor 0.0005 0.0021 0.0025
Schistosoma mansoni hypothetical protein 0.0016 0.0242 0.0288
Echinococcus multilocularis dnaJ subfamily B 0.0425 0.8411 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0164 0.3195 1
Schistosoma mansoni hypothetical protein 0.0005 0.0021 0.0025
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0099 0.0093
Trichomonas vaginalis aldo-keto reductase, putative 0.0164 0.3195 1
Schistosoma mansoni neuropeptide receptor 0.0005 0.0021 0.0025
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0164 0.3195 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0005 0.0021 0.0025
Trichomonas vaginalis aldo-keto reductase, putative 0.0164 0.3195 1
Onchocerca volvulus 0.0164 0.3195 1
Schistosoma mansoni aldo-keto reductase 0.0164 0.3195 0.3799
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0164 0.3195 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0243 0.0288
Mycobacterium leprae conserved hypothetical protein 0.0079 0.1493 0.2696
Trichomonas vaginalis penicillin-binding protein, putative 0.0079 0.1493 0.4589
Mycobacterium tuberculosis Conserved protein 0.0079 0.1493 0.1282
Entamoeba histolytica alcohol dehydrogenase, putative 0.0047 0.0865 0.1844
Trichomonas vaginalis esterase, putative 0.0079 0.1493 0.4589
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0164 0.3195 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.1493 0.4637
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0242 0.0696

Activities

Activity type Activity value Assay description Source Reference
Analgesia (functional) = 0 % Percentage analgesia determined by mouse hot plate assay (1 mg/kg) ChEMBL. 2563773
Analgesia (functional) = 0 % Percentage analgesia determined by mouse hot plate assay (1 mg/kg) ChEMBL. 2563773
Analgesia (functional) = 80 % Percentage analgesia of determined by mouse hot plate assay (5 mg/kg) ChEMBL. 2563773
Analgesia (functional) = 80 % Percentage analgesia of determined by mouse hot plate assay (5 mg/kg) ChEMBL. 2563773
Ki (binding) > 100 nM The ability of the compound to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from rat brain membrane; >= absolutely no % change ChEMBL. 2563773
Ki (binding) > 100 nM The ability of the compound to displace [3H]-naloxone from the Opioid receptor mu 1 isolated from rat brain membrane; >= absolutely no % change ChEMBL. 2563773
Reversal (functional) 0 % Percentage analgesia after treatment with compound or morphine in rabbit ChEMBL. 2563773
Reversal (functional) = 28 % Percentage of respirations per minute after treatment with morphine when compared to control in rabbit ChEMBL. 2563773
Reversal (functional) = 103 % Percentage of respirations per minute after treatment in rabbit ChEMBL. 2563773
Reversal type (functional) = 1 Ability of compound for reversal of morphine and analgesia was determined. ChEMBL. 2563773

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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