Detailed information for compound 1025280

Basic information

Technical information
  • TDR Targets ID: 1025280
  • Name: 3-(4-methoxyphenyl)-1-[5-(3-methylbutyl)-1-(2 -morpholin-4-ylethyl)-2,4-dioxo-1,5-benzodiaz epin-3-yl]urea
  • MW: 523.624 | Formula: C28H37N5O5
  • H donors: 2 H acceptors: 3 LogP: 2.7 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)NC(=O)NC1C(=O)N(CCN2CCOCC2)c2c(N(C1=O)CCC(C)C)cccc2
  • InChi: 1S/C28H37N5O5/c1-20(2)12-13-32-23-6-4-5-7-24(23)33(15-14-31-16-18-38-19-17-31)27(35)25(26(32)34)30-28(36)29-21-8-10-22(37-3)11-9-21/h4-11,20,25H,12-19H2,1-3H3,(H2,29,30,36)
  • InChiKey: OMVDCWJTWNLTKF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[5-isopentyl-1-(2-morpholinoethyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]-3-(4-methoxyphenyl)urea
  • 1-[5-isoamyl-2,4-diketo-1-(2-morpholinoethyl)-1,5-benzodiazepin-3-yl]-3-(4-methoxyphenyl)urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Cholecystokinin A receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi sulfakinin receptor protein Get druggable targets OG5_132882 All targets in OG5_132882
Brugia malayi hypothetical protein Get druggable targets OG5_132882 All targets in OG5_132882
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132882 All targets in OG5_132882
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni rhodopsin-like orphan GPCR Cholecystokinin A receptor   444 aa 380 aa 24.2 %
Echinococcus multilocularis neuropeptides capa receptor Cholecystokinin A receptor   444 aa 400 aa 21.0 %
Schistosoma mansoni amine GPCR Cholecystokinin A receptor   444 aa 412 aa 26.2 %
Echinococcus granulosus orexin receptor type 2 Cholecystokinin A receptor   444 aa 366 aa 23.5 %
Echinococcus multilocularis g protein coupled receptor Cholecystokinin A receptor   444 aa 403 aa 24.1 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Cholecystokinin A receptor   444 aa 364 aa 28.6 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Cholecystokinin A receptor   444 aa 379 aa 24.8 %
Echinococcus multilocularis orexin receptor type 2 Cholecystokinin A receptor   444 aa 362 aa 22.4 %
Echinococcus granulosus rhodopsin orphan GPCR Cholecystokinin A receptor   444 aa 363 aa 19.6 %
Onchocerca volvulus Cholecystokinin A receptor   444 aa 385 aa 28.6 %
Echinococcus granulosus g protein coupled receptor Cholecystokinin A receptor   444 aa 399 aa 23.3 %
Schistosoma japonicum FMRFamide receptor, putative Cholecystokinin A receptor   444 aa 363 aa 21.2 %
Echinococcus granulosus g protein coupled receptor Cholecystokinin A receptor   444 aa 396 aa 23.5 %
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor Cholecystokinin A receptor   444 aa 383 aa 21.7 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Cholecystokinin A receptor   444 aa 395 aa 24.6 %
Schistosoma mansoni biogenic amine (5HT) receptor Cholecystokinin A receptor   444 aa 362 aa 28.2 %
Echinococcus multilocularis g protein coupled receptor Cholecystokinin A receptor   444 aa 396 aa 23.2 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Cholecystokinin A receptor   444 aa 374 aa 24.6 %
Echinococcus multilocularis serotonin receptor Cholecystokinin A receptor   444 aa 468 aa 22.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.003 0.0295
Echinococcus granulosus Nuclear hormone receptor HR96 0.0005 0.0052 0.0052
Brugia malayi nuclear hormone receptor family member nhr-6 0.0005 0.0052 0.0052
Schistosoma mansoni aldehyde dehydrogenase 0.0004 0.001 0.004
Schistosoma mansoni ocrl type II inositol 5-phosphatase 0.0004 0.003 0.0116
Trypanosoma brucei Endonuclease/Exonuclease/phosphatase family, putative 0.0004 0.003 0.0295
Entamoeba histolytica inositol polyphosphate 5-phosphatase, putative 0.0004 0.003 0.0295
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.0004 0.001 0.001
Echinococcus granulosus FTZ F1 alpha 0.001 0.0257 0.0258
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0257 0.0257
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0257 0.0257
Trichomonas vaginalis ap endonuclease, putative 0.002 0.067 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0257 0.1001
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1819 0.1827
Loa Loa (eye worm) hypothetical protein 0.0004 0.003 0.003
Brugia malayi Succinate semialdehyde dehydrogenase, mitochondrial precursor 0.0004 0.001 0.001
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.067 1
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.2458 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0005 0.0052 0.0052
Trichomonas vaginalis type II inositol 5-phosphatase, putative 0.0004 0.003 0.0295
Mycobacterium leprae PROBABLE GAMMA-GLUTAMYL PHOSPHATE REDUCTASE PROTEIN PROA (GPR) (GLUTAMATE-5-SEMIALDEHYDE DEHYDROGENASE) (GLUTAMYL-GAMMA-SEMIALDE 0.0004 0.001 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0257 0.0257
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0257 0.0257
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1819 0.7078
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0005 0.0052 0.0215
Schistosoma mansoni tar DNA-binding protein 0.0069 0.257 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0005 0.0052 0.0052
Brugia malayi conserved hypotetical protein 0.0005 0.0052 0.0052
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0257 0.0258
Entamoeba histolytica endonuclease/exonuclease/phosphatase domain containing protein 0.0004 0.003 0.0295
Loa Loa (eye worm) hypothetical protein 0.0005 0.0052 0.0052
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.067 0.2695
Brugia malayi ecdysone receptor 0.0005 0.0052 0.0052
Echinococcus multilocularis aldehyde dehydrogenase family 3 member B1 0.0004 0.001 0.001
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0005 0.0052 0.0052
Brugia malayi nuclear hormone receptor family member odr-7 0.0005 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0257 0.9956 0.9956
Loa Loa (eye worm) hypothetical protein 0.001 0.0257 0.0257
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0005 0.0052 0.0052
Echinococcus granulosus betaine aldehyde dehydrogenase 0.0004 0.001 0.001
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0257 0.0257
Trichomonas vaginalis skeletal muscle/kidney enriched inositol 5-phosphatase, putative 0.0004 0.003 0.0295
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1819 0.1827
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.067 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1819 0.7078
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0257 0.0257
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0257 0.0257
Loa Loa (eye worm) hypothetical protein 0.0005 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.001 0.0257 0.0257
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.2458 0.2469
Trypanosoma cruzi endonuclease/exonuclease/phosphatase, putative 0.0004 0.003 0.0295
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.2458 0.2469
Trypanosoma cruzi inositol 5-phosphatase 1, putative 0.0004 0.003 0.0295
Loa Loa (eye worm) hypothetical protein 0.0005 0.0052 0.0052
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0257 0.0257
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.257 0.257
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0257 0.0258
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0257 0.0257
Loa Loa (eye worm) hypothetical protein 0.0005 0.0074 0.0074
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0004 0.003 0.0295
Onchocerca volvulus 0.0005 0.0052 0.0215
Brugia malayi tailless protein 0.0005 0.0052 0.0052
Brugia malayi nuclear receptor NHR-88 0.001 0.0257 0.0257
Trichomonas vaginalis Phospholipase C precursor, putative 0.0004 0.003 0.0295
Loa Loa (eye worm) hypothetical protein 0.001 0.0257 0.0257
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0257 0.0257
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0257 0.1001
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0004 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0004 0.003 0.003
Brugia malayi nuclear receptor NHR-67 0.0005 0.0052 0.0052
Trypanosoma brucei inositol/phosphatidylinositol phosphatase, putative 0.0004 0.003 0.0295
Echinococcus granulosus thyroid hormone receptor alpha 0.0005 0.0052 0.0052
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.067 1
Brugia malayi Aldehyde dehydrogenase protein 4 0.0004 0.001 0.001
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0004 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0004 0.003 0.003
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0257 0.129
Trypanosoma brucei Inositol phosphosphingolipids phospholipase C 0.0004 0.003 0.0295
Mycobacterium leprae PROBABLE ALDEHYDE DEHYDROGENASE (NAD+) DEPENDENT 0.0004 0.001 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.0074 0.0074
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.0074 0.0286
Echinococcus multilocularis CCR4 NOT transcription complex subunit 6 0.0004 0.003 0.003
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0052 0.0201
Treponema pallidum hypothetical protein 0.0004 0.003 0.0295
Leishmania major inositol/phosphatidylinositol phosphatase, putative 0.0004 0.003 0.0079
Schistosoma mansoni survival motor neuron protein 0.0052 0.1925 0.7491
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0257 0.0258
Loa Loa (eye worm) hypothetical protein 0.0005 0.0052 0.0052
Brugia malayi steroid hormone receptor 0.001 0.0257 0.0257
Echinococcus granulosus Nuclear hormone receptor HR96 0.0005 0.0052 0.0052
Brugia malayi nuclear hormone receptor 0.0005 0.0052 0.0052
Echinococcus granulosus survival motor neuron protein 1 0.0257 0.9956 1
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0052 0.0201
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.067 0.0673
Schistosoma mansoni hypothetical protein 0.0004 0.003 0.0116
Leishmania major hypothetical protein, conserved 0.0004 0.003 0.0079
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0004 0.003 0.0079
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0004 0.003 0.0295
Schistosoma mansoni thyroid hormone receptor 0.001 0.0257 0.1001
Schistosoma mansoni carbon catabolite repressor protein 0.0004 0.003 0.0116
Echinococcus multilocularis deoxyribonuclease 1 2 0.0004 0.003 0.003
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.0074 0.0286
Brugia malayi ecdysteroid receptor 0.001 0.0257 0.0257
Loa Loa (eye worm) nuclear receptor NHR-67 0.0005 0.0052 0.0052
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0257 0.0257
Brugia malayi Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial precursor 0.0004 0.001 0.001
Schistosoma mansoni nuclear receptor nhr-48 0.0005 0.0052 0.0201
Schistosoma mansoni nuclear hormone receptor 0.001 0.0257 0.1001
Echinococcus multilocularis transient receptor potential cation channel 0.0003 0.000000063329 0.000000063611
Echinococcus granulosus tar DNA binding protein 0.0069 0.257 0.2582
Loa Loa (eye worm) TAR-binding protein 0.0069 0.257 0.257
Loa Loa (eye worm) hypothetical protein 0.0004 0.003 0.003
Echinococcus multilocularis inositol polyphosphate 5 phosphatase OCRL 1 0.0004 0.003 0.003
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0004 0.003 0.003
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0004 0.003 0.0079
Trichomonas vaginalis ocrl type II inositol 5-phosphatase, putative 0.0004 0.003 0.0295
Trypanosoma brucei inositol-1,4,5-trisphosphate (IP3) 5-phosphatase, putative 0.0004 0.003 0.0295
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.067 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0052 0.0052
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0005 0.0074 0.0074
Mycobacterium leprae PROBABLE SUCCINATE-SEMIALDEHYDE DEHYDROGENASE [NADP+] DEPENDENT (SSDH) GABD 0.0004 0.001 0.5
Giardia lamblia Inositol 5-phosphatase 4 0.0004 0.003 0.0295
Loa Loa (eye worm) hypothetical protein 0.001 0.0257 0.0257
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0257 0.0257
Schistosoma mansoni aldehyde dehydrogenase 0.0004 0.001 0.004
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.2458 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0052 0.0052
Brugia malayi sulfakinin receptor protein 0.0258 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0257 0.0258
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0257 0.0257
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0257 0.1001
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0005 0.0074 0.0074
Echinococcus multilocularis traf and tnf receptor associated protein 0.0004 0.003 0.003
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0004 0.003 0.003
Trypanosoma cruzi pantothenate kinase subunit, putative 0.0004 0.003 0.0295
Loa Loa (eye worm) hypothetical protein 0.0005 0.0052 0.0052
Echinococcus multilocularis Fatty aldehyde dehydrogenase 0.0004 0.001 0.001
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0004 0.003 0.003
Schistosoma mansoni zinc finger protein 0.0005 0.0052 0.0201
Loa Loa (eye worm) hypothetical protein 0.0005 0.0052 0.0052
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.2458 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0005 0.0052 0.0201
Echinococcus multilocularis tar DNA binding protein 0.0069 0.257 0.2582
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.067 1
Schistosoma mansoni aldehyde dehydrogenase 0.0004 0.001 0.004
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0257 0.0257
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.257 0.257
Schistosoma mansoni tar DNA-binding protein 0.0069 0.257 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0004 0.003 0.0295
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0004 0.003 0.003
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0257 0.0258
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0257 0.0257
Loa Loa (eye worm) delta-1-pyrroline-5-carboxylate dehydrogenase 0.0004 0.001 0.001
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.067 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0004 0.003 0.003
Loa Loa (eye worm) nuclear hormone receptor 0.0005 0.0052 0.0052
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0257 0.1001
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0257 0.1001
Brugia malayi hypothetical protein 0.0005 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.001 0.0257 0.0257
Brugia malayi hypothetical protein 0.0257 0.9956 0.9956
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0257 0.0257
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0004 0.003 0.0079
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0004 0.003 0.0295
Loa Loa (eye worm) CCR4-NOT transcription complex subunit 6 family protein 0.0004 0.003 0.003
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0004 0.003 0.0295
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0257 0.0257
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.067 0.067
Loa Loa (eye worm) hypothetical protein 0.0005 0.0052 0.0052
Brugia malayi TAR-binding protein 0.0069 0.257 0.257
Trichomonas vaginalis sphingomyelinase C 2 precursor, putative 0.0004 0.003 0.0295
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0257 0.0258
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.2458 1
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.0004 0.001 0.001
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0257 0.1001
Loa Loa (eye worm) hypothetical protein 0.0005 0.0052 0.0052
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0257 0.1001
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0004 0.003 0.003
Brugia malayi nuclear hormone receptor 0.001 0.0257 0.0257
Brugia malayi nuclear receptor RXR 0.0005 0.0074 0.0074
Schistosoma mansoni thyroid hormone receptor 0.001 0.0257 0.1001
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.067 1
Onchocerca volvulus 0.001 0.0257 0.129
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0004 0.003 0.003
Brugia malayi Nuclear hormone receptor E75 0.0005 0.0052 0.0052
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.003 0.0295
Trypanosoma brucei Endonuclease/Exonuclease/phosphatase family, putative 0.0004 0.003 0.0295
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.067 0.2695
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0257 0.0258
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0005 0.0052 0.0052
Giardia lamblia hypothetical protein 0.0004 0.003 0.0295
Echinococcus granulosus aldehyde dehydrogenase family 3 member B1 0.0004 0.001 0.001
Toxoplasma gondii exonuclease III APE 0.002 0.067 0.2695
Entamoeba histolytica sphingomyelinase C precursor, putative 0.0004 0.003 0.0295
Trypanosoma brucei DNA-(apurinic or apyrimidinic site) lyase, putative 0.0004 0.003 0.0295
Brugia malayi hypothetical protein 0.0005 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0004 0.001 0.001
Schistosoma mansoni tar DNA-binding protein 0.0069 0.257 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0005 0.0052 0.0052
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0257 0.0258
Loa Loa (eye worm) hypothetical protein 0.001 0.0257 0.0257
Loa Loa (eye worm) hypothetical protein 0.0005 0.0052 0.0052
Onchocerca volvulus 0.0052 0.1925 1
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.2458 0.9564
Loa Loa (eye worm) aldehyde dehydrogenase 4 0.0004 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.001 0.0257 0.0257
Brugia malayi nuclear receptor NHR-88 0.0005 0.0052 0.0052
Schistosoma mansoni tar DNA-binding protein 0.0069 0.257 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0257 0.0258
Onchocerca volvulus Putative neutral sphingomyelinase 0.0004 0.003 0.0101
Schistosoma mansoni hypothetical protein 0.0052 0.1925 0.7491
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0004 0.003 0.003
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0004 0.003 0.003
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0257 0.0258
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0257 0.0257
Entamoeba histolytica endonuclease/exonuclease/phosphatase domain containing protein 0.0004 0.003 0.0295
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0257 0.0258
Loa Loa (eye worm) hypothetical protein 0.0005 0.0052 0.0052
Schistosoma mansoni hypothetical protein 0.0004 0.001 0.004
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.067 0.067
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.003 0.0295
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0074 0.0074
Echinococcus granulosus succinate semialdehyde dehydrogenase 0.0004 0.001 0.001
Leishmania major inositol phosphosphingolipid phospholipase C-Like 0.0004 0.003 0.0079
Echinococcus multilocularis betaine aldehyde dehydrogenase 0.0004 0.001 0.001
Loa Loa (eye worm) RNA binding protein 0.0069 0.257 0.257
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.1819 0.1827
Echinococcus granulosus nuclear receptor nhr 48 0.0005 0.0052 0.0052
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0257 0.129
Schistosoma mansoni ap endonuclease 0.002 0.067 0.2607
Echinococcus granulosus synaptojanin 1 0.0004 0.003 0.003
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0004 0.003 0.003
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0257 0.0257
Loa Loa (eye worm) hypothetical protein 0.0004 0.001 0.001
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.1819 0.1819
Echinococcus multilocularis transient receptor potential cation channel 0.0003 0.000000063329 0.000000063611
Echinococcus multilocularis synaptojanin 1 0.0004 0.003 0.003
Echinococcus multilocularis neutral sphingomyelinase 0.0004 0.003 0.003
Echinococcus multilocularis nuclear receptor nhr 48 0.0005 0.0052 0.0052
Trypanosoma cruzi mitochondrial protein 99, putative 0.0004 0.003 0.0295
Echinococcus multilocularis survival motor neuron protein 1 0.0257 0.9956 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0052 0.0052
Trypanosoma cruzi RNA-editing complex protein MP100, putative 0.0004 0.003 0.0295
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0004 0.003 0.0295
Echinococcus granulosus traf and tnf receptor associated protein 0.0004 0.003 0.003
Onchocerca volvulus 0.0004 0.003 0.0101
Echinococcus granulosus Fatty aldehyde dehydrogenase 0.0004 0.001 0.001
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.1819 0.1819
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.067 0.2695
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0005 0.0052 0.0215
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0005 0.0052 0.0052
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0257 0.0258
Schistosoma mansoni aldehyde dehydrogenase 0.0004 0.001 0.004
Brugia malayi CCR4 0.0004 0.003 0.003
Leishmania major hypothetical protein, conserved 0.0004 0.003 0.0079
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0074 0.0074
Schistosoma mansoni synaptojanin 0.0004 0.003 0.0116
Leishmania major hypothetical protein, conserved 0.0004 0.003 0.0079
Echinococcus granulosus inositol polyphosphate 5 phosphatase OCRL 1 0.0004 0.003 0.003
Schistosoma mansoni cript-related 0.0004 0.003 0.0116
Trypanosoma brucei RNA editing exonuclease 2 0.0004 0.003 0.0295
Echinococcus granulosus CCR4 NOT transcription complex subunit 6 0.0004 0.003 0.003
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0257 0.0257
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0004 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.001 0.0257 0.0257
Echinococcus granulosus transient receptor potential cation channel 0.0003 0.000000063329 0.000000063611
Brugia malayi RNA binding protein 0.0069 0.257 0.257
Trichomonas vaginalis ap endonuclease, putative 0.002 0.067 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0257 0.0258
Schistosoma mansoni ap endonuclease 0.002 0.067 0.2607
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.1925 0.1925
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0257 0.0258
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0257 0.1001
Schistosoma mansoni succinate semialdehyde dehydrogenase 0.0004 0.001 0.004
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0004 0.003 0.0295
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0004 0.003 0.003
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0004 0.003 0.0079
Schistosoma mansoni delta 1-pyrroline-5-carboxylate synthetase 0.0004 0.001 0.004
Loa Loa (eye worm) hypothetical protein 0.0005 0.0074 0.0074
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0257 0.0258
Brugia malayi hypothetical protein 0.0005 0.0052 0.0052
Schistosoma mansoni tar DNA-binding protein 0.0069 0.257 1
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0004 0.003 0.0079
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0257 0.0257
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0257 0.0258
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0257 0.0258
Trypanosoma cruzi Inositol phosphosphingolipids phospholipase C 0.0004 0.003 0.0295
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0257 0.1001
Loa Loa (eye worm) hypothetical protein 0.0005 0.0074 0.0074
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.003 0.0295
Leishmania major pantothenate kinase subunit, putative 0.0004 0.003 0.0079
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.067 0.0673
Brugia malayi nuclear receptor RXR 0.0005 0.0052 0.0052
Trypanosoma brucei Endonuclease/Exonuclease/phosphatase family, putative 0.0004 0.003 0.0295
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0005 0.0052 0.0052
Schistosoma mansoni nuclear receptor 0.0005 0.0052 0.0201
Brugia malayi aldehyde dehydrogenase 0.0004 0.001 0.001
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0257 0.129
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.2458 0.9564
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0004 0.003 0.003
Loa Loa (eye worm) DR-78 0.0005 0.0052 0.0052
Loa Loa (eye worm) aldehyde dehydrogenase 0.0004 0.001 0.001
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.067 1
Leishmania major RNA-editing complex protein MP100, putative 0.0004 0.003 0.0079
Schistosoma mansoni neutral sphingomyelinase 0.0004 0.003 0.0116
Trichomonas vaginalis type IV inositol 5-phosphatase, putative 0.0004 0.003 0.0295
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.2458 1
Schistosoma mansoni nuclear receptor 0.0005 0.0052 0.0201
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0004 0.003 0.0079
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0257 0.0257
Loa Loa (eye worm) hypothetical protein 0.0005 0.0052 0.0052
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.1819 0.7078
Brugia malayi hypothetical protein 0.0005 0.0074 0.0074
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0005 0.0074 0.0074
Schistosoma mansoni coup transcription factor 0.001 0.0257 0.1001
Brugia malayi orphan nuclear receptor NR2E1 0.0005 0.0052 0.0052
Trypanosoma cruzi mitochondrial protein 99, putative 0.0004 0.003 0.0295
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.003 0.0295
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0004 0.003 0.0295
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.1819 0.1827
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.2458 1
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0004 0.003 0.0295
Onchocerca volvulus 0.0004 0.003 0.0101
Onchocerca volvulus 0.0005 0.0052 0.0215
Schistosoma mansoni aldehyde dehydrogenase 0.0004 0.001 0.004
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0257 0.0257
Brugia malayi Nuclear hormone receptor E75 0.0005 0.0052 0.0052
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0004 0.003 0.003
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0005 0.0052 0.0201
Entamoeba histolytica inositol polyphosphate-5-phosphatase, putative 0.0004 0.003 0.0295
Loa Loa (eye worm) hypothetical protein 0.0258 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0257 0.0257
Leishmania major endonuclease/exonuclease protein-like protein 0.0004 0.003 0.0079
Schistosoma mansoni nocturnin 0.0004 0.003 0.0116
Trypanosoma cruzi Endonuclease/Exonuclease/phosphatase family, putative 0.0004 0.003 0.0295
Toxoplasma gondii endonuclease/exonuclease/phosphatase family protein 0.0004 0.003 0.0079
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.067 1
Schistosoma mansoni synaptojanin 0.0004 0.003 0.0116
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0005 0.0052 0.0052
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0004 0.003 0.0295
Echinococcus granulosus neutral sphingomyelinase 0.0004 0.003 0.003
Mycobacterium tuberculosis Probable exported protein 0.0004 0.003 0.0079

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 5.29 Displacement of [3H]CCK8 from rat pancreas CCK1 receptor at by liquid scintillation counting ChEMBL. 21689940

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

No literature references available for this target.

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