Detailed information for compound 719346

Basic information

Technical information
  • TDR Targets ID: 719346
  • Name: 5-(azepan-1-yl)-2-[(2-fluorophenoxy)methyl]-1 ,3-oxazole-4-carbonitrile
  • MW: 315.342 | Formula: C17H18FN3O2
  • H donors: 0 H acceptors: 2 LogP: 3.65 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1nc(oc1N1CCCCCC1)COc1ccccc1F
  • InChi: 1S/C17H18FN3O2/c18-13-7-3-4-8-15(13)22-12-16-20-14(11-19)17(23-16)21-9-5-1-2-6-10-21/h3-4,7-8H,1-2,5-6,9-10,12H2
  • InChiKey: LFHFGDBWULBCLF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(azepan-1-yl)-2-[(2-fluorophenoxy)methyl]oxazole-4-carbonitrile
  • 5-(1-azepanyl)-2-[(2-fluorophenoxy)methyl]-4-oxazolecarbonitrile
  • ZINC00108561
  • 5-(1-azepanyl)-2-[(2-fluorophenoxy)methyl]-1,3-oxazole-4-carbonitrile
  • MLS000063812
  • SMR000075665

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens core-binding factor, beta subunit No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens runt-related transcription factor 1 Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 3 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Onchocerca volvulus Get druggable targets OG5_133916 All targets in OG5_133916
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0086 0.0632
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.1367 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.1367 0.1367
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1022 1
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0148 0.0148
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.1022 0.3892
Onchocerca volvulus 0.0535 1 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0058 0.0058
Echinococcus multilocularis fatty acid binding protein FABP2 0.0034 0.0498 0.1898
Brugia malayi hypothetical protein 0.0011 0.0058 0.0058
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1367 1
Brugia malayi regulator of G-protein signaling egl-10 0.0011 0.0058 0.0058
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.1022 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.1367 0.5206
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.078 0.078
Echinococcus granulosus GPCR family 2 0.0015 0.0148 0.0562
Schistosoma mansoni hypothetical protein 0.0015 0.0148 0.1079
Schistosoma mansoni fatty acid binding protein 0.0034 0.0498 0.3647
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0148 0.0562
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0487 0.0487
Echinococcus multilocularis GPCR, family 2 0.0015 0.0148 0.0562
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0086 0.0086
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0086 0.0329
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0058 0.0058
Brugia malayi follicle stimulating hormone receptor 0.0227 0.4151 0.4151
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0086 0.0329
Loa Loa (eye worm) hypothetical protein 0.0012 0.0086 0.0086
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.1022 0.7477
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0012 0.0086 0.0086
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0086 0.0329
Loa Loa (eye worm) hypothetical protein 0.0011 0.0058 0.0058
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0086 0.0086
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0086 0.0329
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0148 0.0148
Loa Loa (eye worm) hypothetical protein 0.0015 0.0148 0.0148
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0086 0.0329
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.1022 0.1022
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0086 0.0086
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.1022 0.7477
Echinococcus granulosus Pleckstrin G protein interacting region 0.0011 0.0058 0.0223
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0086 0.0086
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0086 0.0086
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.1022 0.3892
Brugia malayi MAP kinase sur-1 0.0062 0.1022 0.1022
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.1367 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0086 0.0329
Loa Loa (eye worm) hypothetical protein 0.0535 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0086 0.0086
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0058 0.0223
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.1022 0.7477
Loa Loa (eye worm) hypothetical protein 0.0011 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0033 0.0487 0.0487
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0148 0.0562
Loa Loa (eye worm) hypothetical protein 0.0012 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0012 0.0086 0.0086
Brugia malayi Lipocalin / cytosolic fatty-acid binding protein family protein 0.0512 0.9571 0.9571
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1022 1
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.1022 0.3892
Schistosoma mansoni z-protein (S1r protein) 0.0011 0.0058 0.0427
Brugia malayi Muscleblind-like protein 0.0146 0.2626 0.2626
Loa Loa (eye worm) hypothetical protein 0.0218 0.399 0.399
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0086 0.0086
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0086 0.0329
Brugia malayi steroid hormone receptor 0.0012 0.0086 0.0086
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0058 0.0223
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0086 0.0086
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0058 0.0058
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0148 0.0148
Loa Loa (eye worm) lipocalin/cytosolic fatty-acid binding protein family protein 0.0512 0.9571 0.9571
Loa Loa (eye worm) hypothetical protein 0.0535 1 1
Brugia malayi N-terminal motif family protein 0.0218 0.399 0.399
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0086 0.0086
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0086 0.0086
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0058 0.0223
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0086 0.0086
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1367 1
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0058 0.0223
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0011 0.0058 0.0058
Echinococcus granulosus transcription factor Dp 1 0.0046 0.073 0.2781
Loa Loa (eye worm) DIX domain-containing protein 0.0011 0.0058 0.0058
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.1367 0.5206
Schistosoma mansoni lozenge 0.0067 0.1128 0.8249
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.399 0.399
Brugia malayi ecdysteroid receptor 0.0012 0.0086 0.0086
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0086 0.0329
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0049 0.078 0.078
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1367 1
Schistosoma mansoni regulator of G protein signaling 0.0011 0.0058 0.0427
Loa Loa (eye worm) hypothetical protein 0.0012 0.0086 0.0086
Loa Loa (eye worm) runx1 0.0067 0.1128 0.1128
Brugia malayi DIX domain containing protein 0.0011 0.0058 0.0058
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0058 0.0223
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0012 0.0086 0.0086
Schistosoma mansoni fatty acid binding protein 0.0034 0.0498 0.3647
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0086 0.0632
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.1022 0.7477
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0086 0.0086
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0086 0.0086
Brugia malayi hypothetical protein 0.0011 0.0058 0.0058
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0086 0.0086
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0058 0.0223
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0086 0.0632
Echinococcus multilocularis muscleblind protein 1 0.0146 0.2626 1
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0086 0.0632
Brugia malayi nuclear receptor NHR-88 0.0012 0.0086 0.0086
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1022 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0086 0.0329
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0058 0.0223
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0086 0.0329
Echinococcus multilocularis muscleblind protein 0.0146 0.2626 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0086 0.0086
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0086 0.0632
Schistosoma mansoni hypothetical protein 0.0033 0.0487 0.3563
Loa Loa (eye worm) hypothetical protein 0.0012 0.0086 0.0086
Echinococcus granulosus muscleblind protein 0.0146 0.2626 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0086 0.0086
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0086 0.0329
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0086 0.0329
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0086 0.0086
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.1367 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.2626 0.2626
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0086 0.0086
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.1022 0.7477
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0086 0.0632
Echinococcus granulosus fatty acid binding protein FABP2 0.0034 0.0498 0.1898
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0011 0.0058 0.0058
Schistosoma mansoni hypothetical protein 0.0015 0.0148 0.1079
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0086 0.0086
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0086 0.0632
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0086 0.0632
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0086 0.0632
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0086 0.0086
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0086 0.0329
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0086 0.0329
Schistosoma mansoni hypothetical protein 0.0015 0.0148 0.1079
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.1022 0.3892
Schistosoma mansoni dep domain containing protein 0.0011 0.0058 0.0427
Schistosoma mansoni dishevelled 0.0011 0.0058 0.0427
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0086 0.0329
Echinococcus multilocularis Protein lozenge 0.0067 0.1128 0.4294
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0011 0.0058 0.0427
Brugia malayi nuclear hormone receptor 0.0012 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0146 0.2626 0.2626
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0086 0.0086
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.078 0.078
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0086 0.0632
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0148 0.0562
Schistosoma mansoni dishevelled 0.0011 0.0058 0.0427
Echinococcus granulosus fatty acid binding protein FABP2 0.0034 0.0498 0.1898
Schistosoma mansoni coup transcription factor 0.0012 0.0086 0.0632
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.078 0.078
Echinococcus multilocularis fatty acid binding protein FABP2 0.0034 0.0498 0.1898
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0148 0.0562
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0086 0.0632
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0086 0.0329
Onchocerca volvulus 0.0012 0.0086 0.0086
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.1022 1
Onchocerca volvulus 0.0011 0.0058 0.0058
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0086 0.0086
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.073 0.2781
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0227 0.4151 0.4151
Loa Loa (eye worm) hypothetical protein 0.0012 0.0086 0.0086
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0086 0.0086
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.1367 0.1367
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0011 0.0058 0.0223
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0086 0.0329
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0058 0.0223
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0086 0.0086
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0086 0.0329
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0086 0.0632
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.1022 0.5
Schistosoma mansoni hypothetical protein 0.0015 0.0148 0.1079

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (binding) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 30.1313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

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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