Detailed information for compound 519195

Basic information

Technical information
  • TDR Targets ID: 519195
  • Name: (2S)-1-[2-(1H-benzimidazol-2-ylsulfanyl)acety l]-N-(2-phenoxyphenyl)pyrrolidine-2-carboxami de
  • MW: 472.559 | Formula: C26H24N4O3S
  • H donors: 2 H acceptors: 3 LogP: 4.81 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCC[C@H]1C(=O)Nc1ccccc1Oc1ccccc1)CSc1nc2c([nH]1)cccc2
  • InChi: 1S/C26H24N4O3S/c31-24(17-34-26-28-19-11-4-5-12-20(19)29-26)30-16-8-14-22(30)25(32)27-21-13-6-7-15-23(21)33-18-9-2-1-3-10-18/h1-7,9-13,15,22H,8,14,16-17H2,(H,27,32)(H,28,29)/t22-/m0/s1
  • InChiKey: VVHIEIHZUOYBAF-QFIPXVFZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S)-1-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-N-(2-phenoxyphenyl)-2-pyrrolidinecarboxamide
  • (2S)-1-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-N-(2-phenoxyphenyl)pyrrolidine-2-carboxamide
  • (2S)-1-[2-(1H-benzimidazol-2-ylthio)acetyl]-N-(2-phenoxyphenyl)pyrrolidine-2-carboxamide
  • (2S)-1-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-N-[2-(phenoxy)phenyl]pyrrolidine-2-carboxamide
  • (2S)-1-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-N-[2-(phenoxy)phenyl]-2-pyrrolidinecarboxamide
  • (2S)-1-[2-(1H-benzimidazol-2-ylthio)acetyl]-N-[2-(phenoxy)phenyl]pyrrolidine-2-carboxamide
  • (2S)-1-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-N-[2-(phenoxy)phenyl]pyrrolidine-2-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hypocretin (orexin) receptor 1 Starlite/ChEMBL References
Homo sapiens hypocretin (orexin) receptor 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus neuropeptide receptor Get druggable targets OG5_127863 All targets in OG5_127863
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Get druggable targets OG5_127863 All targets in OG5_127863
Echinococcus multilocularis neuropeptide receptor Get druggable targets OG5_127863 All targets in OG5_127863
Echinococcus multilocularis G protein coupled receptor 139 Get druggable targets OG5_127863 All targets in OG5_127863
Schistosoma mansoni neuropeptide receptor Get druggable targets OG5_127863 All targets in OG5_127863
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus sex peptide receptor hypocretin (orexin) receptor 1 425 aa 350 aa 23.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0056 0.0157
Echinococcus granulosus dual specificity 0.01 0.174 0.2414
Loa Loa (eye worm) hypothetical protein 0.0099 0.173 0.173
Brugia malayi MH2 domain containing protein 0.0133 0.2437 0.2437
Schistosoma mansoni nuclear receptor 0.0017 0.0031 0.0088
Schistosoma mansoni nuclear receptor 0.0017 0.0031 0.0088
Loa Loa (eye worm) steroid hormone receptor 0.0036 0.0428 0.0428
Loa Loa (eye worm) hypothetical protein 0.0017 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0017 0.0031 0.0031
Schistosoma mansoni metabotropic glutamate receptor 0.0023 0.0151 0.0425
Onchocerca volvulus 0.0053 0.078 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0428 0.0428
Echinococcus granulosus survival motor neuron protein 1 0.0255 0.4949 0.6864
Loa Loa (eye worm) hypothetical protein 0.0187 0.355 0.355
Mycobacterium leprae PROBABLE D-AMINO ACID OXIDASE AAO 0.0187 0.355 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0056 0.0077
Brugia malayi Steroid receptor seven-up type 2 0.0036 0.0428 0.0428
Echinococcus multilocularis G protein coupled receptor 139 0.0132 0.2399 0.3327
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0017 0.0031 0.0031
Toxoplasma gondii exonuclease III APE 0.0018 0.0056 0.2542
Loa Loa (eye worm) hypothetical protein 0.0019 0.0074 0.0074
Echinococcus multilocularis tumor protein p63 0.0364 0.721 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.0428 0.0428
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0056 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0036 0.0428 0.0428
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0036 0.0428 0.0428
Loa Loa (eye worm) hypothetical protein 0.0019 0.0074 0.0074
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0017 0.0031 0.0043
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0735 0.1019
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0036 0.0428 0.0428
Echinococcus granulosus nuclear receptor nhr 48 0.0017 0.0031 0.0043
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0036 0.0428 0.0428
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0036 0.0428 0.1206
Schistosoma mansoni nuclear receptor nhr-48 0.0017 0.0031 0.0088
Brugia malayi hypothetical protein 0.0019 0.0074 0.0074
Loa Loa (eye worm) nuclear receptor NHR-67 0.0017 0.0031 0.0031
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0735 0.1019
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0036 0.0428 0.1206
Echinococcus multilocularis survival motor neuron protein 1 0.0255 0.4949 0.6864
Loa Loa (eye worm) TAR-binding protein 0.0133 0.2417 0.2417
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0056 0.2542
Echinococcus granulosus metabotropic glutamate receptor 2 0.0039 0.0492 0.0682
Brugia malayi hypothetical protein 0.0017 0.0031 0.0031
Brugia malayi hypothetical protein 0.0026 0.022 0.022
Mycobacterium ulcerans D-amino acid oxidase Aao 0.0187 0.355 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0036 0.0428 0.0594
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.0428 0.0594
Loa Loa (eye worm) transcription factor SMAD2 0.0133 0.2437 0.2437
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0017 0.0031 0.0043
Brugia malayi RNA recognition motif domain containing protein 0.0133 0.2417 0.2417
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.01 0.174 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0036 0.0428 0.0428
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.01 0.174 1
Schistosoma mansoni metabotropic glutamate receptor 0.0039 0.0492 0.1385
Schistosoma mansoni steroid hormone receptor ad4bp 0.0036 0.0428 0.1206
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0019 0.0074 0.0074
Brugia malayi nuclear hormone receptor 0.0017 0.0031 0.0031
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0735 0.0735
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0019 0.0074 0.0208
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0056 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.022 1
Schistosoma mansoni d-amino acid oxidase 0.0187 0.355 1
Loa Loa (eye worm) nuclear hormone receptor 0.0017 0.0031 0.0031
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.022 1
Echinococcus granulosus ecdysone induced protein 78C 0.0036 0.0428 0.0594
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0036 0.0428 0.0594
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0036 0.0428 0.0594
Schistosoma mansoni retinoic acid receptor RXR 0.0036 0.0428 0.1206
Loa Loa (eye worm) hypothetical protein 0.0036 0.0428 0.0428
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0752 0.0752
Schistosoma mansoni hypothetical protein 0.0052 0.0752 0.2119
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0056 0.0077
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0036 0.0428 0.0428
Loa Loa (eye worm) hypothetical protein 0.0017 0.0031 0.0031
Loa Loa (eye worm) glutamate receptor 0.0018 0.006 0.006
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.0428 0.0594
Loa Loa (eye worm) hypothetical protein 0.0053 0.078 0.078
Loa Loa (eye worm) hypothetical protein 0.0019 0.0074 0.0074
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0056 0.5
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.01 0.174 0.174
Brugia malayi hypothetical protein 0.0255 0.4949 0.4949
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0036 0.0428 0.1206
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0019 0.0074 0.0208
Onchocerca volvulus 0.0052 0.0752 0.965
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0056 0.0321
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0036 0.0428 0.0428
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0735 0.0735
Schistosoma mansoni coup transcription factor 0.0036 0.0428 0.1206
Brugia malayi hypothetical protein 0.0017 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0036 0.0428 0.0428
Schistosoma mansoni ap endonuclease 0.0018 0.0056 0.0157
Onchocerca volvulus 0.0017 0.0031 0.0402
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0074 0.0074
Echinococcus multilocularis dual specificity 0.01 0.174 0.2414
Brugia malayi Nuclear hormone receptor E75 0.0017 0.0031 0.0031
Echinococcus granulosus Nuclear hormone receptor HR96 0.0017 0.0031 0.0043
Brugia malayi nuclear hormone receptor family member nhr-6 0.0017 0.0031 0.0031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0036 0.0428 0.0428
Loa Loa (eye worm) hypothetical protein 0.0036 0.0428 0.0428
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0017 0.0031 0.0031
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0056 0.0321
Brugia malayi nuclear hormone receptor family member odr-7 0.0017 0.0031 0.0031
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0017 0.0031 0.0088
Schistosoma mansoni tar DNA-binding protein 0.0133 0.2417 0.6809
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0039 0.0492 0.0682
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.022 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0056 0.0173
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0019 0.0074 0.0102
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0735 0.1019
Brugia malayi nuclear receptor NHR-67 0.0017 0.0031 0.0031
Entamoeba histolytica protein kinase, putative 0.01 0.174 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0017 0.0031 0.0043
Schistosoma mansoni ap endonuclease 0.0018 0.0056 0.0157
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0056 0.2542
Echinococcus granulosus FTZ F1 alpha 0.0036 0.0428 0.0594
Loa Loa (eye worm) hypothetical protein 0.0017 0.0031 0.0031
Echinococcus multilocularis tar DNA binding protein 0.0133 0.2417 0.3353
Loa Loa (eye worm) hypothetical protein 0.0019 0.0074 0.0074
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0036 0.0428 0.1206
Chlamydia trachomatis D-amino acid dehydrogenase 0.0016 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0133 0.2417 0.2417
Echinococcus multilocularis thyroid hormone receptor alpha 0.0036 0.0428 0.0594
Schistosoma mansoni zinc finger protein 0.0017 0.0031 0.0088
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0036 0.0428 0.0428
Brugia malayi Nuclear hormone receptor E75 0.0017 0.0031 0.0031
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0036 0.0428 0.0594
Loa Loa (eye worm) hypothetical protein 0.0017 0.0031 0.0031
Brugia malayi metabotropic glutamate receptor type 2 0.0023 0.0151 0.0151
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.0428 0.0428
Brugia malayi nuclear receptor NHR-88 0.0036 0.0428 0.0428
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0036 0.0428 0.0594
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0036 0.0428 0.5489
Onchocerca volvulus 0.0036 0.0428 0.5489
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0056 0.0321
Brugia malayi ecdysone receptor 0.0017 0.0031 0.0031
Entamoeba histolytica protein kinase, putative 0.01 0.174 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0036 0.0428 0.1206
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.01 0.174 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0735 0.2069
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0017 0.0031 0.0402
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0053 0.0783 0.2204
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0036 0.0428 0.1206
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0036 0.0428 0.0428
Loa Loa (eye worm) hypothetical protein 0.0058 0.0874 0.0874
Loa Loa (eye worm) hypothetical protein 0.0017 0.0031 0.0031
Brugia malayi hypothetical protein 0.0019 0.0074 0.0074
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.022 0.1262
Loa Loa (eye worm) hypothetical protein 0.0017 0.0031 0.0031
Schistosoma mansoni nuclear hormone receptor 0.0017 0.0031 0.0088
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0036 0.0428 0.0594
Schistosoma mansoni tar DNA-binding protein 0.0133 0.2417 0.6809
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0017 0.0031 0.0088
Loa Loa (eye worm) hypothetical protein 0.0026 0.022 0.022
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0056 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0428 0.0428
Schistosoma mansoni tar DNA-binding protein 0.0133 0.2417 0.6809
Entamoeba histolytica protein kinase domain containing protein 0.01 0.174 1
Schistosoma mansoni tar DNA-binding protein 0.0133 0.2417 0.6809
Brugia malayi tailless protein 0.0017 0.0031 0.0031
Brugia malayi conserved hypotetical protein 0.0017 0.0031 0.0031
Schistosoma mansoni neuropeptide receptor 0.0132 0.2399 0.6756
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0499 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.022 0.1262
Loa Loa (eye worm) hypothetical protein 0.0036 0.0428 0.0428
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0056 0.5
Brugia malayi steroid hormone receptor 0.0036 0.0428 0.0428
Echinococcus granulosus tar DNA binding protein 0.0133 0.2417 0.3353
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0043 0.0558 0.0558
Onchocerca volvulus Bile acid receptor homolog 0.0036 0.0428 0.5489
Brugia malayi TAR-binding protein 0.0133 0.2417 0.2417
Schistosoma mansoni thyroid hormone receptor 0.0036 0.0428 0.1206
Echinococcus multilocularis neuropeptide receptor 0.0132 0.2399 0.3327
Loa Loa (eye worm) hypothetical protein 0.0017 0.0031 0.0031
Loa Loa (eye worm) DR-78 0.0017 0.0031 0.0031
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0017 0.0031 0.0043
Loa Loa (eye worm) glutamate receptor 0.0047 0.0649 0.0649
Loa Loa (eye worm) hypothetical protein 0.0017 0.0031 0.0031
Schistosoma mansoni RAR-like nuclear receptor 0.0036 0.0428 0.1206
Loa Loa (eye worm) RNA binding protein 0.0133 0.2417 0.2417
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0017 0.0031 0.0043
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.022 1
Schistosoma mansoni survival motor neuron protein 0.0052 0.0752 0.2119
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0017 0.0031 0.0043
Echinococcus multilocularis FTZ F1 alpha 0.0036 0.0428 0.0594
Loa Loa (eye worm) hypothetical protein 0.0099 0.173 0.173
Loa Loa (eye worm) hypothetical protein 0.0036 0.0428 0.0428
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0017 0.0031 0.0402
Loa Loa (eye worm) MH2 domain-containing protein 0.0133 0.2437 0.2437
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0017 0.0031 0.0043
Schistosoma mansoni nuclear hormone receptor 0.0017 0.0031 0.0088
Brugia malayi RNA binding protein 0.0133 0.2417 0.2417
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0074 0.0074
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.0428 0.0594
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0036 0.0428 0.0428
Loa Loa (eye worm) hypothetical protein 0.0255 0.4949 0.4949
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0036 0.0428 0.0428
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.0428 0.0594
Brugia malayi ecdysteroid receptor 0.0036 0.0428 0.0428
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0735 0.2069
Loa Loa (eye worm) hypothetical protein 0.0036 0.0428 0.0428
Schistosoma mansoni thyroid hormone receptor 0.0036 0.0428 0.1206
Loa Loa (eye worm) hypothetical protein 0.0017 0.0031 0.0031
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0058 0.0874 0.1212
Brugia malayi nuclear receptor NHR-88 0.0017 0.0031 0.0031
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0036 0.0428 0.0594
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0036 0.0428 0.0594
Brugia malayi Metabotropic glutamate receptor precursor. 0.0047 0.0649 0.0649
Brugia malayi nuclear hormone receptor 0.0036 0.0428 0.0428
Brugia malayi orphan nuclear receptor NR2E1 0.0017 0.0031 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.0428 0.0428
Loa Loa (eye worm) hypothetical protein 0.0017 0.0031 0.0031
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0056 0.0321
Onchocerca volvulus 0.0017 0.0031 0.0402
Brugia malayi hypothetical protein 0.0017 0.0027 0.0027
Schistosoma mansoni serine/threonine protein kinase 0.01 0.174 0.4903
Echinococcus granulosus neuropeptide receptor 0.0132 0.2399 0.3327
Echinococcus granulosus tumor protein p63 0.0364 0.721 1
Entamoeba histolytica hypothetical protein 0.01 0.174 1
Mycobacterium tuberculosis Probable D-amino acid oxidase Aao 0.0172 0.3227 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0036 0.0428 0.0428
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.0428 0.0428
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0735 0.2069
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0056 0.0321
Loa Loa (eye worm) hypothetical protein 0.0019 0.0074 0.0074
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.022 0.1262
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.01 0.174 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.0428 0.0428
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0036 0.0428 0.0428
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0019 0.0074 0.0102
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0036 0.0428 0.0428
Brugia malayi nuclear receptor RXR 0.0017 0.0031 0.0031
Echinococcus granulosus thyroid hormone receptor alpha 0.0017 0.0031 0.0043
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0056 0.0056
Brugia malayi Nuclear hormone receptor-like 1 0.0036 0.0428 0.0428
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.078 0.2196
Onchocerca volvulus Protein ultraspiracle homolog 0.0036 0.0428 0.5489
Echinococcus multilocularis ecdysone induced protein 78C 0.0036 0.0428 0.0594
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.0428 0.0428
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0036 0.0428 0.0594
Schistosoma mansoni tar DNA-binding protein 0.0133 0.2417 0.6809
Echinococcus granulosus metabotropic glutamate receptor 5 0.0058 0.0874 0.1212
Loa Loa (eye worm) hypothetical protein 0.0017 0.0031 0.0031
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0017 0.0031 0.0043
Schistosoma mansoni nuclear hormone receptor 0.0036 0.0428 0.1206
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0017 0.0031 0.0031
Brugia malayi Protein kinase domain containing protein 0.01 0.174 0.174
Leishmania major hypothetical protein, conserved 0.0026 0.022 0.1262
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0735 0.1019
Echinococcus granulosus Nuclear hormone receptor HR96 0.0017 0.0031 0.0043
Brugia malayi nuclear receptor RXR 0.0019 0.0074 0.0074

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 16 nM Antagonist activity at human OX2R expressed in CHOK1 cells assessed as effect on calcium mobilization ChEMBL. 18207395
Activity (functional) = 16 nM Antagonist activity at human OX2R expressed in CHOK1 cells assessed as effect on calcium mobilization ChEMBL. 18207395
Activity (functional) = 450 nM Antagonist activity at human OX1R expressed in CHOK1 cells assessed as effect on calcium mobilization ChEMBL. 18207395
Activity (functional) = 450 nM Antagonist activity at human OX1R expressed in CHOK1 cells assessed as effect on calcium mobilization ChEMBL. 18207395
Ki (binding) = 3 nM Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R expressed in CHO cells ChEMBL. 18207395
Ki (binding) = 3 nM Displacement of [3H](S)-N-(2-(1H-pyrrol-1-yl)phenyl)-1-(2-(1-methyl-1H-benzo[d]imidazol-2-ylthio)acetyl)pyrrolidine-2-carboxamide from human OX2R expressed in CHO cells ChEMBL. 18207395
Ki (binding) = 69 nM Displacement of [3H](S)-1-[2-(1-methyl-1H-benzoimidazol-2-ylsulfanyl)-acetyl]-pyrrolidine-2-carboxylic acid biphenyl-2-ylamide from human OX1R expressed in CHO cells ChEMBL. 18207395
Ki (binding) = 69 nM Displacement of [3H](S)-1-[2-(1-methyl-1H-benzoimidazol-2-ylsulfanyl)-acetyl]-pyrrolidine-2-carboxylic acid biphenyl-2-ylamide from human OX1R expressed in CHO cells ChEMBL. 18207395

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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