Detailed information for compound 935598

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 427.412 | Formula: C23H17N5O4
  • H donors: 4 H acceptors: 5 LogP: 1.6 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccc(c1)c1c[nH]c(=O)[nH]c1=O)Nc1ccc(cc1)NC(=O)c1ccccn1
  • InChi: 1S/C23H17N5O4/c29-20(15-5-3-4-14(12-15)18-13-25-23(32)28-21(18)30)26-16-7-9-17(10-8-16)27-22(31)19-6-1-2-11-24-19/h1-13H,(H,26,29)(H,27,31)(H2,25,28,30,32)
  • InChiKey: UKKCHLWQDVEFEM-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli fused N-acetyl glucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyl transferase Starlite/ChEMBL References
Homo sapiens aurora kinase B Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium knowlesi serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma congolense aurora B kinase Get druggable targets OG5_127024 All targets in OG5_127024
Mycobacterium ulcerans bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase Get druggable targets OG5_131193 All targets in OG5_131193
Entamoeba histolytica protein kinase domain containing protein Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi serine/threonine-protein kinase 6 Get druggable targets OG5_127024 All targets in OG5_127024
Cryptosporidium parvum protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania mexicana protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania donovani Aurora I-related kinase Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi serine/threonine kinase 12 Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica serine/threonine- protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium berghei serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Candida albicans likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu Get druggable targets OG5_127024 All targets in OG5_127024
Brugia malayi serine/threonine protein kinase 6 Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus serine:threonine protein kinase 12 B Get druggable targets OG5_127024 All targets in OG5_127024
Candida albicans likely protein kinase similar to S. cerevisiae IPL1 (YPL209C) Aurora protein kinase involved in regulating kinetochore-microtubu Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania braziliensis protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis serine:threonine protein kinase 12 B Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica serine/threonine protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma japonicum Serine/threonine-protein kinase 12, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma mansoni protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma japonicum ko:K08850 aurora kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase Get druggable targets OG5_131193 All targets in OG5_131193
Entamoeba histolytica protein kinase , putative Get druggable targets OG5_127024 All targets in OG5_127024
Toxoplasma gondii aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Loa Loa (eye worm) AUR protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus multilocularis aurora kinase A Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma cruzi aurora B kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Giardia lamblia Aurora kinase Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei aurora B kinase Get druggable targets OG5_127024 All targets in OG5_127024
Leishmania major protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Neospora caninum hypothetical protein Get druggable targets OG5_127024 All targets in OG5_127024
Echinococcus granulosus aurora kinase A Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium yoelii Protein kinase domain, putative Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium falciparum serine/threonine protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Entamoeba histolytica serine/threonine- protein kinase 6 , putative Get druggable targets OG5_127024 All targets in OG5_127024
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU Get druggable targets OG5_131193 All targets in OG5_131193
Plasmodium vivax serine/threonine protein kinase 6, putative Get druggable targets OG5_127024 All targets in OG5_127024
Plasmodium yoelii putative protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Cryptosporidium hominis protein kinase (EC 2.7.1.-) p46XlEg22 Get druggable targets OG5_127024 All targets in OG5_127024
Trypanosoma brucei gambiense protein kinase, putative Get druggable targets OG5_127024 All targets in OG5_127024
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127024 All targets in OG5_127024
Mycobacterium leprae Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU Get druggable targets OG5_131193 All targets in OG5_131193

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 aurora kinase B 303 aa 299 aa 22.1 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi GnHR receptor homolog 0.0139 0.0245 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0139 0.0245 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0139 0.0245 0.5
Onchocerca volvulus 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Echinococcus multilocularis fmrfamide receptor 0.0139 0.0245 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0139 0.0245 0.5
Mycobacterium ulcerans bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase 0.0684 1 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0139 0.0245 0.5
Schistosoma mansoni opsin-like receptor 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Brugia malayi hypothetical protein 0.0139 0.0245 0.5
Brugia malayi Serotonin receptor 0.0139 0.0245 0.5
Echinococcus granulosus neuropeptide s receptor 0.0139 0.0245 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0139 0.0245 0.5
Echinococcus granulosus g protein coupled receptor 0.0139 0.0245 0.5
Brugia malayi putative neuropeptide receptor 0.0139 0.0245 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.0139 0.0245 0.5
Brugia malayi AKH receptor 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Echinococcus multilocularis serotonin receptor 0.0139 0.0245 0.5
Schistosoma mansoni amine GPCR 0.0139 0.0245 0.5
Onchocerca volvulus 0.0139 0.0245 0.5
Schistosoma mansoni biogenic amine receptor 0.0139 0.0245 0.5
Onchocerca volvulus 0.0139 0.0245 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.0139 0.0245 0.5
Echinococcus granulosus G protein coupled receptor 139 0.0139 0.0245 0.5
Onchocerca volvulus 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.0139 0.0245 0.5
Brugia malayi Dopamine receptor 0.0139 0.0245 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0139 0.0245 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.0139 0.0245 0.5
Onchocerca volvulus 0.0139 0.0245 0.5
Schistosoma mansoni alpha-1 adrenergic receptor 0.0139 0.0245 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0139 0.0245 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0139 0.0245 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0139 0.0245 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Schistosoma mansoni opsin-like receptor 0.0139 0.0245 0.5
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0139 0.0245 0.5
Onchocerca volvulus 0.0139 0.0245 0.5
Echinococcus multilocularis neuropeptide receptor 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Schistosoma mansoni amine GPCR 0.0139 0.0245 0.5
Echinococcus granulosus g-protein coupled receptor 0.0139 0.0245 0.5
Brugia malayi hypothetical protein 0.0139 0.0245 0.5
Brugia malayi hypothetical protein 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0139 0.0245 0.5
Loa Loa (eye worm) TYRA-2 protein 0.0139 0.0245 0.5
Echinococcus multilocularis g protein coupled receptor 0.0139 0.0245 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0139 0.0245 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0139 0.0245 0.5
Echinococcus multilocularis neuropeptide receptor 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0139 0.0245 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0139 0.0245 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0139 0.0245 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0139 0.0245 0.5
Treponema pallidum licC protein (licC) 0.0125 0 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0139 0.0245 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.0139 0.0245 0.5
Schistosoma mansoni histamine h1 receptor 0.0139 0.0245 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.0139 0.0245 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0139 0.0245 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0139 0.0245 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0139 0.0245 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0139 0.0245 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0139 0.0245 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Schistosoma mansoni opsin-like receptor 0.0139 0.0245 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.0139 0.0245 0.5
Schistosoma mansoni neuropeptide receptor 0.0139 0.0245 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0139 0.0245 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0139 0.0245 0.5
Brugia malayi G-protein coupled receptor 0.0139 0.0245 0.5
Brugia malayi Dopamine receptor protein 1 0.0139 0.0245 0.5
Brugia malayi Dopamine receptor protein 2 0.0139 0.0245 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0139 0.0245 0.5
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0139 0.0245 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0139 0.0245 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0139 0.0245 0.5
Brugia malayi Melatonin receptor type 1A 0.0139 0.0245 0.5
Onchocerca volvulus 0.0139 0.0245 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0139 0.0245 0.5
Echinococcus granulosus g protein coupled receptor 0.0139 0.0245 0.5
Schistosoma mansoni hypothetical protein 0.0139 0.0245 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0139 0.0245 0.5
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0139 0.0245 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0139 0.0245 0.5
Toxoplasma gondii eukaryotic initiation factor-2B, gamma subunit, putative 0.0125 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0139 0.0245 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0139 0.0245 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0139 0.0245 0.5
Onchocerca volvulus 0.0139 0.0245 0.5
Loa Loa (eye worm) melatonin receptor type 1A 0.0139 0.0245 0.5
Echinococcus multilocularis allatostatin A receptor 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Brugia malayi hypothetical protein 0.0139 0.0245 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0139 0.0245 0.5
Brugia malayi follicle stimulating hormone receptor 0.0139 0.0245 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0139 0.0245 0.5
Echinococcus granulosus g protein coupled receptor 0.0139 0.0245 0.5
Schistosoma mansoni neuropeptide receptor 0.0139 0.0245 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0139 0.0245 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0139 0.0245 0.5
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.0684 1 1
Onchocerca volvulus 0.0139 0.0245 0.5
Echinococcus granulosus somatostatin receptor 0.0139 0.0245 0.5
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0684 1 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0139 0.0245 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0139 0.0245 0.5
Brugia malayi hypothetical protein 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Echinococcus granulosus fmrfamide receptor 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0139 0.0245 0.5
Echinococcus granulosus allatostatin A receptor 0.0139 0.0245 0.5
Brugia malayi sulfakinin receptor protein 0.0139 0.0245 0.5
Brugia malayi putative neuropeptide receptor NPR1 0.0139 0.0245 0.5
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Echinococcus multilocularis g protein coupled receptor 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0139 0.0245 0.5
Brugia malayi larval opioid receptor 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Onchocerca volvulus 0.0139 0.0245 0.5
Echinococcus granulosus serotonin receptor 0.0139 0.0245 0.5
Echinococcus multilocularis dro:myosuppressin receptor 0.0139 0.0245 0.5
Echinococcus multilocularis orexin receptor type 2 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Echinococcus granulosus neuropeptide receptor 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0139 0.0245 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0139 0.0245 0.5
Schistosoma mansoni neuropeptide receptor 0.0139 0.0245 0.5
Echinococcus multilocularis sex peptide receptor 0.0139 0.0245 0.5
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0139 0.0245 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0139 0.0245 0.5
Echinococcus granulosus neuropeptide receptor 0.0139 0.0245 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0139 0.0245 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0139 0.0245 0.5
Brugia malayi hypothetical protein 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0139 0.0245 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0139 0.0245 0.5
Onchocerca volvulus 0.0139 0.0245 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0139 0.0245 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0139 0.0245 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0139 0.0245 0.5
Brugia malayi G protein-coupled receptor 0.0139 0.0245 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0139 0.0245 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0139 0.0245 0.5
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0139 0.0245 0.5
Brugia malayi neuropeptide F receptor 0.0139 0.0245 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0139 0.0245 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0139 0.0245 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0139 0.0245 0.5
Schistosoma mansoni amine GPCR 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Schistosoma mansoni biogenic amine receptor 0.0139 0.0245 0.5
Brugia malayi hypothetical protein 0.0139 0.0245 0.5
Brugia malayi neuropeptide F receptor 0.0139 0.0245 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Brugia malayi G protein-coupled receptor F59B2.13 0.0139 0.0245 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0139 0.0245 0.5
Schistosoma mansoni hypothetical protein 0.0139 0.0245 0.5
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0139 0.0245 0.5
Schistosoma mansoni neuropeptide receptor 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Schistosoma mansoni amine GPCR 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Brugia malayi G-protein coupled receptor 0.0139 0.0245 0.5
Echinococcus multilocularis serotonin receptor 0.0139 0.0245 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Brugia malayi Serotonin receptor 0.0139 0.0245 0.5
Echinococcus granulosus sex peptide receptor 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Echinococcus multilocularis somatostatin receptor 0.0139 0.0245 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0139 0.0245 0.5
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0139 0.0245 0.5
Onchocerca volvulus 0.0139 0.0245 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0139 0.0245 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0139 0.0245 0.5
Schistosoma mansoni adenoreceptor 0.0139 0.0245 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Brugia malayi hypothetical protein 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0139 0.0245 0.5
Schistosoma mansoni amine GPCR 0.0139 0.0245 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0139 0.0245 0.5
Brugia malayi hypothetical protein 0.0139 0.0245 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0139 0.0245 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0139 0.0245 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0139 0.0245 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0139 0.0245 0.5
Echinococcus multilocularis fmrfamide receptor 0.0139 0.0245 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0139 0.0245 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0139 0.0245 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0139 0.0245 0.5
Brugia malayi ORL1-like opioid receptor 0.0139 0.0245 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0139 0.0245 0.5
Onchocerca volvulus 0.0139 0.0245 0.5
Schistosoma mansoni hypothetical protein 0.0139 0.0245 0.5
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0139 0.0245 0.5
Onchocerca volvulus 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Brugia malayi RE15519p 0.0139 0.0245 0.5
Onchocerca volvulus 0.0139 0.0245 0.5
Echinococcus granulosus hypothetical protein 0.0139 0.0245 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0139 0.0245 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0139 0.0245 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0139 0.0245 0.5
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0139 0.0245 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0139 0.0245 0.5
Brugia malayi hypothetical protein 0.0139 0.0245 0.5
Onchocerca volvulus 0.0139 0.0245 0.5
Onchocerca volvulus 0.0139 0.0245 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0139 0.0245 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0139 0.0245 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.0245 0.5
Echinococcus granulosus orexin receptor type 2 0.0139 0.0245 0.5
Echinococcus multilocularis g protein coupled receptor 0.0139 0.0245 0.5
Schistosoma mansoni hypothetical protein 0.0139 0.0245 0.5
Schistosoma mansoni myosin xvIII 0.0139 0.0245 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.35 uM Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after 30 mins by malachite green staining-based assay ChEMBL. 25262942
IC50 (binding) = 7.51 uM Inhibition of human AURKB incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay ChEMBL. 25262942
IC50 (binding) > 30 uM Inhibition of human IRAK4 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay ChEMBL. 25262942
IC50 (binding) > 30 uM Inhibition of human IRAK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay ChEMBL. 25262942
IC50 (binding) > 30 uM Inhibition of human JAK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay ChEMBL. 25262942
IC50 (binding) > 30 uM Inhibition of human JAK2 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay ChEMBL. 25262942
IC50 (binding) > 30 uM Inhibition of human JAK3 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay ChEMBL. 25262942
IC50 (binding) > 30 uM Inhibition of human CDK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay ChEMBL. 25262942
IC50 (binding) > 30 uM Inhibition of human CDK2 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay ChEMBL. 25262942
IC50 (binding) > 30 uM Inhibition of human CDK9 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay ChEMBL. 25262942
PB (ADMET) = 98.1 % Serum protein binding in human at 10 uM after 30 mins by ultrafiltration method ChEMBL. 25262942

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.

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