Detailed information for compound 268551

Basic information

Technical information
  • TDR Targets ID: 268551
  • Name: 5-methyl-1H-benzimidazole
  • MW: 132.163 | Formula: C8H8N2
  • H donors: 1 H acceptors: 1 LogP: 1.85 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(c1)[nH]cn2
  • InChi: 1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)
  • InChiKey: RWXZXCZBMQPOBF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-methylbenzimidazole
  • 6-methyl-1H-benzimidazole
  • ethyl 4-cyanophenylalaninate
  • 614-97-1
  • 305235_ALDRICH
  • ZINC00409343
  • InChI=1/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10
  • CHEBI:40205
  • phenylalanine, 4-cyano-, ethyl ester
  • 5MB
  • STK242092
  • Benzimidazole, 5(or 6)-methyl- (7CI)
  • EINECS 210-401-4
  • NSC 3826
  • 1H-Benzimidazole, 5-methyl-
  • Benzimidazole, 5-methyl-
  • NSC3826
  • WLN: T56 BM DNJ G1

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 tachykinin peptides receptor 99D 0.005 0.0114 0.0302
Brugia malayi hypothetical protein 0.005 0.0114 0.0114
Echinococcus multilocularis g protein coupled receptor 0.005 0.0114 0.0302
Onchocerca volvulus 0.005 0.0114 1
Echinococcus granulosus neuropeptide Y receptor 0.005 0.0114 0.0302
Echinococcus multilocularis rhodopsin orphan GPCR 0.005 0.0114 0.0302
Echinococcus multilocularis neuropeptide receptor 0.005 0.0114 0.0302
Brugia malayi GnHR receptor homolog 0.005 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Onchocerca volvulus 0.005 0.0114 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.005 0.0114 0.0302
Echinococcus multilocularis g-protein coupled receptor 0.005 0.0114 0.0302
Echinococcus granulosus rhodopsin orphan GPCR 0.005 0.0114 0.0302
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Onchocerca volvulus 0.005 0.0114 1
Onchocerca volvulus 0.005 0.0114 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.005 0.0114 0.0302
Echinococcus granulosus serotonin receptor 0.005 0.0114 0.0302
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.005 0.0114 0.2615
Echinococcus granulosus tm gpcr rhodopsin 0.005 0.0114 0.0302
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Schistosoma mansoni rhodopsin-like orphan GPCR 0.005 0.0114 0.0114
Schistosoma mansoni biogenic amine (dopamine) receptor 0.005 0.0114 0.0114
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.005 0.0114 0.0114
Echinococcus granulosus rhodopsin orphan GPCR 0.005 0.0114 0.0302
Brugia malayi putative neuropeptide receptor NPR1 0.005 0.0114 0.0114
Schistosoma mansoni amine GPCR 0.005 0.0114 0.0114
Schistosoma mansoni neuropeptide receptor 0.005 0.0114 0.0114
Brugia malayi neuropeptide F receptor 0.005 0.0114 0.0114
Brugia malayi putative neuropeptide receptor 0.005 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0655 0.379 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.005 0.0114 0.0114
Echinococcus granulosus allatostatin A receptor 0.005 0.0114 0.0302
Onchocerca volvulus 0.005 0.0114 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.005 0.0114 0.0302
Echinococcus granulosus tm gpcr rhodopsin 0.005 0.0114 0.0302
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Brugia malayi hypothetical protein 0.005 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Echinococcus granulosus sex peptide receptor 0.005 0.0114 0.0302
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.005 0.0114 0.0114
Echinococcus granulosus g protein coupled receptor 0.005 0.0114 0.0302
Brugia malayi Zinc finger, C2H2 type family protein 0.0655 0.379 0.379
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Onchocerca volvulus 0.005 0.0114 1
Echinococcus granulosus neuropeptide receptor A26 0.005 0.0114 0.0302
Schistosoma mansoni neuropeptide receptor 0.005 0.0114 0.0114
Loa Loa (eye worm) melatonin receptor type 1A 0.005 0.0114 0.2615
Leishmania major dihydroorotate dehydrogenase 0.1677 1 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Schistosoma mansoni growth hormone secretagogue receptor 0.005 0.0114 0.0114
Brugia malayi G-protein coupled receptor 0.005 0.0114 0.0114
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.1677 1 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0655 0.379 0.5
Brugia malayi AKH receptor 0.005 0.0114 0.0114
Brugia malayi hypothetical protein 0.005 0.0114 0.0114
Schistosoma mansoni rhodopsin-like orphan GPCR 0.005 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Echinococcus multilocularis G protein coupled receptor 139 0.005 0.0114 0.0302
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.005 0.0114 0.0302
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.1677 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.005 0.0114 0.0302
Loa Loa (eye worm) neuropeptide F receptor 0.005 0.0114 0.2615
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.005 0.0114 0.0114
Brugia malayi Serotonin/octopamine receptor family protein 7 0.005 0.0114 0.0114
Schistosoma mansoni neuropeptide f receptor 76f 0.005 0.0114 0.0114
Echinococcus granulosus g-protein coupled receptor 0.005 0.0114 0.0302
Brugia malayi RE15519p 0.005 0.0114 0.0114
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.005 0.0114 0.0302
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Echinococcus multilocularis rhodopsin orphan GPCR 0.005 0.0114 0.0302
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Echinococcus granulosus biogenic amine 5HT receptor 0.005 0.0114 0.0302
Echinococcus granulosus hypothetical protein 0.005 0.0114 0.0302
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.005 0.0114 0.0302
Schistosoma mansoni rhodopsin-like orphan GPCR 0.005 0.0114 0.0114
Echinococcus granulosus rhodopsin orphan GPCR 0.005 0.0114 0.0302
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.1677 1 1
Echinococcus multilocularis fmrfamide receptor 0.005 0.0114 0.0302
Schistosoma mansoni biogenic amine (5HT) receptor 0.005 0.0114 0.0114
Loa Loa (eye worm) G-protein coupled receptor 0.005 0.0114 0.2615
Loa Loa (eye worm) G-protein coupled receptor 0.005 0.0114 0.2615
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.005 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Echinococcus multilocularis somatostatin receptor 0.005 0.0114 0.0302
Onchocerca volvulus 0.005 0.0114 1
Brugia malayi Dopamine receptor protein 2 0.005 0.0114 0.0114
Echinococcus multilocularis serotonin receptor 0.005 0.0114 0.0302
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.005 0.0114 0.0302
Brugia malayi hypothetical protein 0.005 0.0114 0.0114
Onchocerca volvulus 0.005 0.0114 1
Echinococcus granulosus neuropeptides capa receptor 0.005 0.0114 0.0302
Echinococcus granulosus 7tm_1 domain containing protein 0.005 0.0114 0.0302
Onchocerca volvulus Neuropeptide F receptor homolog 0.005 0.0114 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.005 0.0114 0.2615
Echinococcus multilocularis G-protein coupled receptor, putative 0.005 0.0114 0.0302
Brugia malayi sulfakinin receptor protein 0.005 0.0114 0.0114
Brugia malayi Melatonin receptor type 1A 0.005 0.0114 0.0114
Echinococcus granulosus somatostatin receptor 0.005 0.0114 0.0302
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0655 0.379 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Echinococcus granulosus rhodopsin orphan GPCR 0.005 0.0114 0.0302
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.1677 1 1
Echinococcus multilocularis neuropeptide receptor A26 0.005 0.0114 0.0302
Brugia malayi hypothetical protein 0.005 0.0114 0.0114
Echinococcus multilocularis rhodopsin orphan GPCR 0.005 0.0114 0.0302
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0655 0.379 1
Onchocerca volvulus 0.005 0.0114 1
Echinococcus multilocularis dro:myosuppressin receptor 0.005 0.0114 0.0302
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.005 0.0114 0.0114
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.1677 1 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Echinococcus granulosus tm gpcr rhodopsin 0.005 0.0114 0.0302
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0655 0.379 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.005 0.0114 0.0302
Schistosoma mansoni adenoreceptor 0.005 0.0114 0.0114
Schistosoma mansoni amine GPCR 0.005 0.0114 0.0114
Schistosoma mansoni biogenic amine receptor 0.005 0.0114 0.0114
Brugia malayi hypothetical protein 0.005 0.0114 0.0114
Onchocerca volvulus 0.005 0.0114 1
Echinococcus granulosus g protein coupled receptor 0.005 0.0114 0.0302
Schistosoma mansoni amine GPCR 0.005 0.0114 0.0114
Echinococcus multilocularis fmrfamide receptor 0.005 0.0114 0.0302
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Schistosoma mansoni rhodopsin-like orphan GPCR 0.005 0.0114 0.0114
Echinococcus granulosus neuropeptide Y receptor 0.005 0.0114 0.0302
Schistosoma mansoni biogenic amine receptor 0.005 0.0114 0.0114
Schistosoma mansoni biogenic amine (5HT) receptor 0.005 0.0114 0.0114
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0655 0.379 1
Schistosoma mansoni hypothetical protein 0.005 0.0114 0.0114
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.005 0.0114 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.005 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Brugia malayi hypothetical protein 0.005 0.0114 0.0114
Onchocerca volvulus 0.005 0.0114 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.005 0.0114 0.0302
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.005 0.0114 0.0302
Echinococcus granulosus rhodopsin orphan GPCR 0.005 0.0114 0.0302
Brugia malayi G protein-coupled receptor F59B2.13 0.005 0.0114 0.0114
Onchocerca volvulus 0.005 0.0114 1
Plasmodium falciparum dihydroorotate dehydrogenase 0.1677 1 0.5
Echinococcus granulosus neuropeptide receptor 0.005 0.0114 0.0302
Echinococcus granulosus rhodopsin orphan GPCR 0.005 0.0114 0.0302
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0655 0.379 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.005 0.0114 0.0302
Onchocerca volvulus 0.005 0.0114 1
Echinococcus multilocularis neuropeptides capa receptor 0.005 0.0114 0.0302
Brugia malayi MH2 domain containing protein 0.0103 0.0437 0.0437
Echinococcus multilocularis allatostatin A receptor 0.005 0.0114 0.0302
Brugia malayi hypothetical protein 0.005 0.0114 0.0114
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0655 0.379 1
Brugia malayi neuropeptide F receptor 0.005 0.0114 0.0114
Echinococcus granulosus G protein coupled receptor 139 0.005 0.0114 0.0302
Echinococcus granulosus neuropeptides capa receptor 0.005 0.0114 0.0302
Onchocerca volvulus 0.005 0.0114 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.005 0.0114 0.0302
Echinococcus multilocularis sex peptide receptor 0.005 0.0114 0.0302
Schistosoma mansoni hypothetical protein 0.005 0.0114 0.0114
Schistosoma mansoni opsin-like receptor 0.005 0.0114 0.0114
Schistosoma mansoni opsin-like receptor 0.005 0.0114 0.0114
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.005 0.0114 0.0302
Schistosoma mansoni rhodopsin-like orphan GPCR 0.005 0.0114 0.0114
Echinococcus granulosus orexin receptor type 2 0.005 0.0114 0.0302
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0655 0.379 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.005 0.0114 0.0114
Schistosoma mansoni neuropeptide F-like receptor 0.005 0.0114 0.0114
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.1677 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0199 0.1018 0.1018
Schistosoma mansoni dihydroorotate dehydrogenase 0.1677 1 1
Brugia malayi hypothetical protein 0.005 0.0114 0.0114
Echinococcus multilocularis g protein coupled receptor 0.005 0.0114 0.0302
Brugia malayi hypothetical protein 0.005 0.0114 0.0114
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.1677 1 1
Echinococcus granulosus dro:myosuppressin receptor 0.005 0.0114 0.0302
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Brugia malayi G-protein coupled receptor 0.005 0.0114 0.0114
Loa Loa (eye worm) follicle stimulating hormone receptor 0.005 0.0114 0.2615
Brugia malayi follicle stimulating hormone receptor 0.005 0.0114 0.0114
Schistosoma mansoni amine GPCR 0.005 0.0114 0.0114
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.005 0.0114 0.0114
Schistosoma mansoni neuropeptide F-like receptor 0.005 0.0114 0.0114
Echinococcus multilocularis orexin receptor type 2 0.005 0.0114 0.0302
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.005 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Schistosoma mansoni biogenic amine receptor 0.005 0.0114 0.0114
Schistosoma mansoni neuropeptide receptor 0.005 0.0114 0.0114
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.005 0.0114 0.0302
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.1677 1 1
Loa Loa (eye worm) TYRA-2 protein 0.005 0.0114 0.2615
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.005 0.0114 0.0302
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Echinococcus granulosus rhodopsin orphan GPCR 0.005 0.0114 0.0302
Schistosoma mansoni peptide (allatostatin)-like receptor 0.005 0.0114 0.0114
Onchocerca volvulus 0.005 0.0114 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.005 0.0114 0.2615
Echinococcus granulosus 7TM GPCR rhodopsin 0.005 0.0114 0.0302
Echinococcus multilocularis neuropeptide s receptor 0.005 0.0114 0.0302
Echinococcus granulosus neuropeptide s receptor 0.005 0.0114 0.0302
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.005 0.0114 0.2615
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Schistosoma mansoni opsin-like receptor 0.005 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Loa Loa (eye worm) transcription factor SMAD2 0.0103 0.0437 1
Echinococcus multilocularis neuropeptide Y receptor 0.005 0.0114 0.0302
Echinococcus multilocularis serotonin receptor 0.005 0.0114 0.0302
Loa Loa (eye worm) MH2 domain-containing protein 0.0103 0.0437 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.005 0.0114 0.0302
Schistosoma mansoni biogenic amine (dopamine) receptor 0.005 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Schistosoma mansoni biogenic amine (dopamine) receptor 0.005 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Schistosoma mansoni amine GPCR 0.005 0.0114 0.0114
Schistosoma mansoni hypothetical protein 0.005 0.0114 0.0114
Echinococcus multilocularis tachykinin peptides receptor 99D 0.005 0.0114 0.0302
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Loa Loa (eye worm) neuropeptide F receptor 0.005 0.0114 0.2615
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.1677 1 1
Brugia malayi larval opioid receptor 0.005 0.0114 0.0114
Echinococcus multilocularis neuropeptide receptor 0.005 0.0114 0.0302
Echinococcus granulosus fmrfamide receptor 0.005 0.0114 0.0302
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.005 0.0114 0.0302
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.005 0.0114 0.0302
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.005 0.0114 0.0302
Echinococcus granulosus biogenic amine 5HT receptor 0.005 0.0114 0.0302
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Echinococcus multilocularis g protein coupled receptor 0.005 0.0114 0.0302
Onchocerca volvulus 0.005 0.0114 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Echinococcus granulosus neuropeptide FF receptor 2 0.005 0.0114 0.0302
Brugia malayi ORL1-like opioid receptor 0.005 0.0114 0.0114
Schistosoma mansoni hypothetical protein 0.005 0.0114 0.0114
Echinococcus multilocularis rhodopsin orphan GPCR 0.005 0.0114 0.0302
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.005 0.0114 0.0302
Schistosoma mansoni rhodopsin-like orphan GPCR 0.005 0.0114 0.0114
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.005 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Schistosoma mansoni neuropeptide receptor 0.005 0.0114 0.0114
Echinococcus multilocularis rhodopsin orphan GPCR 0.005 0.0114 0.0302
Echinococcus granulosus alpha 1A adrenergic receptor 0.005 0.0114 0.0302
Echinococcus multilocularis rhodopsin orphan GPCR 0.005 0.0114 0.0302
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0655 0.379 1
Schistosoma mansoni myosin xvIII 0.005 0.0114 0.0114
Echinococcus multilocularis neuropeptides capa receptor 0.005 0.0114 0.0302
Brugia malayi Serotonin receptor 0.005 0.0114 0.0114
Brugia malayi Dopamine receptor 0.005 0.0114 0.0114
Echinococcus granulosus neuropeptide receptor 0.005 0.0114 0.0302
Echinococcus multilocularis neuropeptide FF receptor 2 0.005 0.0114 0.0302
Schistosoma mansoni rhodopsin-like orphan GPCR 0.005 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.1677 1 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0655 0.379 0.379
Brugia malayi G protein-coupled receptor 0.005 0.0114 0.0114
Echinococcus multilocularis rhodopsin orphan GPCR 0.005 0.0114 0.0302
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Schistosoma mansoni histamine h1 receptor 0.005 0.0114 0.0114
Schistosoma mansoni rhodopsin-like orphan GPCR 0.005 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Echinococcus granulosus g protein coupled receptor 0.005 0.0114 0.0302
Schistosoma mansoni rhodopsin-like orphan GPCR 0.005 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Brugia malayi Tachykinin-like peptides receptor 99D 0.005 0.0114 0.0114
Schistosoma mansoni alpha-1 adrenergic receptor 0.005 0.0114 0.0114
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.1677 1 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Brugia malayi Serotonin receptor 0.005 0.0114 0.0114
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.005 0.0114 0.0302
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0655 0.379 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.005 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Loa Loa (eye worm) hypothetical protein 0.005 0.0114 0.2615
Onchocerca volvulus 0.005 0.0114 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.005 0.0114 0.0114
Brugia malayi Dopamine receptor protein 1 0.005 0.0114 0.0114

Activities

Activity type Activity value Assay description Source Reference
GI (functional) = 60.81 % Antiproliferative activity against human CCRF-CEM cells at 10'5 M ChEMBL. No reference
IC50 (ADMET) = 3.24 Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats. ChEMBL. 7120277
IC50 (binding) > 200 uM Inhibition of human xanthine oxidase ChEMBL. 17379526
IC50 (binding) > 200 uM Inhibition of human xanthine oxidase ChEMBL. 17379526
Inhibition (binding) = 26 % Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 using L-tryptophan as substrate at 1 mM after 1 hr relative to control ChEMBL. 24262887
Ks (ADMET) = 0.000062 M Interaction with cytochrome P450 in Phenobarbitone-induced rat hepatic microsomes ChEMBL. 7097715
Ks (ADMET) = 0.000062 M Interaction with cytochrome P450 in Phenobarbitone-induced rat hepatic microsomes ChEMBL. 7097715
Ks (ADMET) = 0.00021 M Interaction (Ks) with cytochrome P450 in 3-methylcholanthrene-induced rat hepatic microsomes ChEMBL. 7097715
Ks (ADMET) = 0.00021 M Interaction (Ks) with cytochrome P450 in 3-methylcholanthrene-induced rat hepatic microsomes ChEMBL. 7097715
logP (ADMET) = 1.89 Partition coefficient (logP) ChEMBL. 7120277
pI50 (ADMET) = 3.24 Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats. ChEMBL. 7120277

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

4 literature references were collected for this gene.

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