Detailed information for compound 315449

Basic information

Technical information
  • TDR Targets ID: 315449
  • Name: (1E,3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1 -[(4-nitrophenyl)methylidene]-4H-naphthalen-2 -one
  • MW: 411.406 | Formula: C25H17NO5
  • H donors: 0 H acceptors: 3 LogP: 5.49 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1/C(=C/c2ccc3c(c2)OCO3)/Cc2c(/C/1=C\c1ccc(cc1)[N+](=O)[O-])cccc2
  • InChi: 1S/C25H17NO5/c27-25-19(11-17-7-10-23-24(13-17)31-15-30-23)14-18-3-1-2-4-21(18)22(25)12-16-5-8-20(9-6-16)26(28)29/h1-13H,14-15H2/b19-11+,22-12+
  • InChiKey: QSGVUYNXDBQICR-AKESQTLWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (1E,3E)-3-(1,3-benzodioxol-5-ylmethylene)-1-[(4-nitrophenyl)methylene]tetralin-2-one
  • (1E,3E)-3-(1,3-benzodioxol-5-ylmethylene)-1-[(4-nitrophenyl)methylene]-2-tetralinone
  • (1E,3E)-1-(4-nitrobenzylidene)-3-piperonylidene-tetralin-2-one
  • (1E,3E)-3-(1,3-benzodioxol-5-ylmethylene)-1-(4-nitrobenzylidene)tetralin-2-one

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 multilocularis allatostatin A receptor 0.0037 0.1722 0.1722
Schistosoma mansoni neuropeptide receptor 0.0037 0.1722 0.1722
Echinococcus multilocularis rhodopsin orphan GPCR 0.0037 0.1722 0.1722
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0037 0.1722 0.1722
Toxoplasma gondii cathepsin B 0.0049 0.2688 1
Echinococcus granulosus g protein coupled receptor 0.0037 0.1722 0.1722
Echinococcus granulosus rhodopsin orphan GPCR 0.0037 0.1722 0.1722
Brugia malayi putative neuropeptide receptor NPR1 0.0037 0.1722 0.1722
Schistosoma mansoni cathepsin F (C01 family) 0.0026 0.086 0.086
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Brugia malayi Cathepsin L-like precursor 0.0026 0.086 0.086
Brugia malayi hypothetical protein 0.0037 0.1722 0.1722
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0037 0.1722 0.1722
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0037 0.1722 0.1722
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0037 0.1722 0.1722
Echinococcus granulosus cathepsin b 0.0139 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0037 0.1722 0.1722
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Brugia malayi Serotonin receptor 0.0037 0.1722 0.1722
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.086 0.3201
Loa Loa (eye worm) hypothetical protein 0.0139 1 1
Onchocerca volvulus 0.0026 0.086 0.4051
Echinococcus granulosus cathepsin l cysteine peptidase 0.0026 0.086 0.086
Schistosoma mansoni opsin-like receptor 0.0037 0.1722 0.1722
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0037 0.1722 0.1722
Brugia malayi Cathepsin L-like precursor 0.0026 0.086 0.086
Echinococcus multilocularis fmrfamide receptor 0.0037 0.1722 0.1722
Echinococcus multilocularis neuropeptide s receptor 0.0037 0.1722 0.1722
Schistosoma mansoni myosin xvIII 0.0037 0.1722 0.1722
Echinococcus multilocularis G protein coupled receptor 139 0.0037 0.1722 0.1722
Echinococcus granulosus tm gpcr rhodopsin 0.0037 0.1722 0.1722
Echinococcus multilocularis cathepsin L cysteine protease 0.0026 0.086 0.086
Brugia malayi hypothetical protein 0.0037 0.1722 0.1722
Brugia malayi Serotonin receptor 0.0037 0.1722 0.1722
Schistosoma mansoni amine GPCR 0.0037 0.1722 0.1722
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.086 0.3201
Schistosoma mansoni amine GPCR 0.0037 0.1722 0.1722
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Loa Loa (eye worm) hypothetical protein 0.0026 0.086 0.0603
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0037 0.1722 0.1722
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0049 0.2688 0.2688
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Echinococcus granulosus hypothetical protein 0.0037 0.1722 0.1722
Onchocerca volvulus 0.0037 0.1722 1
Echinococcus granulosus G protein coupled receptor 139 0.0037 0.1722 0.1722
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0037 0.1722 0.1489
Onchocerca volvulus 0.0037 0.1722 1
Entamoeba histolytica cysteine proteinase, putative 0.0019 0.0274 0.3182
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0037 0.1722 0.1722
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0037 0.1722 0.1722
Echinococcus multilocularis serotonin receptor 0.0037 0.1722 0.1722
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Onchocerca volvulus 0.0026 0.086 0.4051
Brugia malayi sulfakinin receptor protein 0.0037 0.1722 0.1722
Schistosoma mansoni biogenic amine receptor 0.0037 0.1722 0.1722
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0037 0.1722 0.1722
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0037 0.1722 0.1722
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.086 0.3201
Brugia malayi G-protein coupled receptor 0.0037 0.1722 0.1722
Loa Loa (eye worm) ctsf protein 0.0026 0.086 0.0603
Schistosoma mansoni opsin-like receptor 0.0037 0.1722 0.1722
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.086 0.3201
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0037 0.1722 0.1722
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.086 0.3201
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Brugia malayi Dopamine receptor protein 2 0.0037 0.1722 0.1722
Entamoeba histolytica cysteine protease, putative 0.0026 0.086 1
Echinococcus granulosus sex peptide receptor 0.0037 0.1722 0.1722
Echinococcus multilocularis rhodopsin orphan GPCR 0.0037 0.1722 0.1722
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0037 0.1722 0.1722
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0274 0.0274
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0026 0.086 1
Onchocerca volvulus 0.0037 0.1722 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0037 0.1722 0.1722
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0037 0.1722 0.1722
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0037 0.1722 0.1489
Brugia malayi hypothetical protein 0.0037 0.1722 0.1722
Echinococcus granulosus 7TM GPCR rhodopsin 0.0037 0.1722 0.1722
Echinococcus granulosus rhodopsin orphan GPCR 0.0037 0.1722 0.1722
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0037 0.1722 0.1722
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Schistosoma mansoni biogenic amine (5HT) receptor 0.0037 0.1722 0.1722
Echinococcus granulosus neuropeptide s receptor 0.0037 0.1722 0.1722
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0037 0.1722 0.1722
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Schistosoma mansoni amine GPCR 0.0037 0.1722 0.1722
Echinococcus multilocularis orexin receptor type 2 0.0037 0.1722 0.1722
Echinococcus granulosus allatostatin A receptor 0.0037 0.1722 0.1722
Onchocerca volvulus 0.0026 0.086 0.4051
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Brugia malayi hypothetical protein 0.0037 0.1722 0.1722
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0274 0.1018
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0037 0.1722 0.1722
Brugia malayi GnHR receptor homolog 0.0037 0.1722 0.1722
Schistosoma mansoni amine GPCR 0.0037 0.1722 0.1722
Giardia lamblia Cathepsin B precursor 0.0049 0.2688 0.5
Brugia malayi neuropeptide F receptor 0.0037 0.1722 0.1722
Echinococcus granulosus rhodopsin orphan GPCR 0.0037 0.1722 0.1722
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Schistosoma mansoni neuropeptide f receptor 76f 0.0037 0.1722 0.1722
Echinococcus granulosus rhodopsin orphan GPCR 0.0037 0.1722 0.1722
Echinococcus multilocularis rhodopsin orphan GPCR 0.0037 0.1722 0.1722
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0026 0.086 0.0603
Echinococcus multilocularis rhodopsin orphan GPCR 0.0037 0.1722 0.1722
Entamoeba histolytica cysteine proteinase, putative 0.0026 0.086 1
Brugia malayi G-protein coupled receptor 0.0037 0.1722 0.1722
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.086 0.3201
Echinococcus granulosus rhodopsin orphan GPCR 0.0037 0.1722 0.1722
Echinococcus multilocularis neuropeptide receptor 0.0037 0.1722 0.1722
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.086 0.3201
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.086 0.3201
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0139 1 1
Brugia malayi Cathepsin L-like precursor 0.0026 0.086 0.086
Onchocerca volvulus 0.0026 0.086 0.4051
Onchocerca volvulus 0.0037 0.1722 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.086 0.3201
Brugia malayi Tachykinin-like peptides receptor 99D 0.0037 0.1722 0.1722
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0037 0.1722 0.1722
Echinococcus granulosus neuropeptides capa receptor 0.0037 0.1722 0.1722
Echinococcus granulosus somatostatin receptor 0.0037 0.1722 0.1722
Echinococcus multilocularis g protein coupled receptor 0.0037 0.1722 0.1722
Echinococcus granulosus tm gpcr rhodopsin 0.0037 0.1722 0.1722
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0037 0.1722 0.1489
Echinococcus multilocularis cathepsin b 0.0139 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0037 0.1722 0.1722
Brugia malayi Dopamine receptor 0.0037 0.1722 0.1722
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0139 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0037 0.1722 0.1722
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.086 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.086 0.3201
Trypanosoma cruzi cysteine peptidase, putative 0.0026 0.086 0.086
Echinococcus multilocularis cysteine protease 0.0026 0.086 0.086
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0037 0.1722 0.1722
Brugia malayi hypothetical protein 0.0037 0.1722 0.1722
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0037 0.1722 0.1722
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.086 0.3201
Echinococcus granulosus fmrfamide receptor 0.0037 0.1722 0.1722
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0037 0.1722 0.1722
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0037 0.1722 0.1722
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.086 0.3201
Schistosoma mansoni opsin-like receptor 0.0037 0.1722 0.1722
Echinococcus granulosus cathepsin b 0.0139 1 1
Brugia malayi hypothetical protein 0.0037 0.1722 0.1722
Onchocerca volvulus 0.0037 0.1722 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0037 0.1722 0.1722
Echinococcus multilocularis dro:myosuppressin receptor 0.0037 0.1722 0.1722
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.086 0.3201
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0037 0.1722 0.1722
Echinococcus granulosus neuropeptide FF receptor 2 0.0037 0.1722 0.1722
Giardia lamblia Cathepsin B precursor 0.0049 0.2688 0.5
Echinococcus multilocularis g protein coupled receptor 0.0037 0.1722 0.1722
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0037 0.1722 0.1722
Onchocerca volvulus Cathepsin L homolog 0.0026 0.086 0.4051
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Schistosoma mansoni histamine h1 receptor 0.0037 0.1722 0.1722
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0139 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0037 0.1722 0.1722
Echinococcus granulosus neuropeptides capa receptor 0.0037 0.1722 0.1722
Brugia malayi larval opioid receptor 0.0037 0.1722 0.1722
Echinococcus multilocularis cysteine protease 0.0026 0.086 0.086
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0037 0.1722 0.1722
Echinococcus multilocularis sex peptide receptor 0.0037 0.1722 0.1722
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Echinococcus multilocularis g protein coupled receptor 0.0037 0.1722 0.1722
Brugia malayi hypothetical protein 0.0037 0.1722 0.1722
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Echinococcus granulosus rhodopsin orphan GPCR 0.0037 0.1722 0.1722
Schistosoma mansoni growth hormone secretagogue receptor 0.0037 0.1722 0.1722
Echinococcus multilocularis neuropeptide Y receptor 0.0037 0.1722 0.1722
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0049 0.2688 0.2688
Schistosoma mansoni alpha-1 adrenergic receptor 0.0037 0.1722 0.1722
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.086 0.3201
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0037 0.1722 0.1722
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0037 0.1722 0.1722
Onchocerca volvulus 0.0037 0.1722 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.086 0.3201
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Brugia malayi neuropeptide F receptor 0.0037 0.1722 0.1722
Brugia malayi AKH receptor 0.0037 0.1722 0.1722
Echinococcus granulosus g-protein coupled receptor 0.0037 0.1722 0.1722
Brugia malayi Cathepsin L-like precursor 0.0026 0.086 0.086
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0026 0.086 0.086
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Onchocerca volvulus 0.0037 0.1722 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Brugia malayi hypothetical protein 0.0037 0.1722 0.1722
Plasmodium falciparum cysteine proteinase falcipain 3 0.0026 0.086 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0037 0.1722 0.1722
Schistosoma mansoni hypothetical protein 0.0037 0.1722 0.1722
Schistosoma mansoni cathepsin F (C01 family) 0.0026 0.086 0.086
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0037 0.1722 0.1722
Echinococcus granulosus neuropeptide receptor 0.0037 0.1722 0.1722
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0037 0.1722 0.1722
Echinococcus multilocularis neuropeptides capa receptor 0.0037 0.1722 0.1722
Echinococcus multilocularis neuropeptide receptor A26 0.0037 0.1722 0.1722
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.086 0.3201
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0026 0.086 0.3201
Onchocerca volvulus 0.0037 0.1722 1
Onchocerca volvulus 0.0037 0.1722 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0037 0.1722 1
Echinococcus granulosus tm gpcr rhodopsin 0.0037 0.1722 0.1722
Onchocerca volvulus 0.0026 0.086 0.4051
Brugia malayi Melatonin receptor type 1A 0.0037 0.1722 0.1722
Echinococcus multilocularis neuropeptide Y receptor 0.0037 0.1722 0.1722
Trypanosoma cruzi cysteine peptidase, putative 0.0026 0.086 0.086
Schistosoma mansoni neuropeptide receptor 0.0037 0.1722 0.1722
Echinococcus granulosus g protein coupled receptor 0.0037 0.1722 0.1722
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Loa Loa (eye worm) fibroinase 0.0026 0.086 0.0603
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0049 0.2688 1
Plasmodium vivax vivapain-2 0.0026 0.086 1
Brugia malayi ORL1-like opioid receptor 0.0037 0.1722 0.1722
Onchocerca volvulus 0.0037 0.1722 1
Echinococcus multilocularis fmrfamide receptor 0.0037 0.1722 0.1722
Echinococcus granulosus cathepsin l1 0.0026 0.086 0.086
Schistosoma mansoni biogenic amine receptor 0.0037 0.1722 0.1722
Brugia malayi Dopamine receptor protein 1 0.0037 0.1722 0.1722
Brugia malayi putative neuropeptide receptor 0.0037 0.1722 0.1722
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Echinococcus granulosus tachykinin peptides receptor 99D 0.0037 0.1722 0.1722
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0139 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0139 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.086 0.3201
Trypanosoma cruzi cysteine peptidase, putative 0.0026 0.086 0.086
Onchocerca volvulus 0.0037 0.1722 1
Schistosoma mansoni hypothetical protein 0.0037 0.1722 0.1722
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Echinococcus multilocularis rhodopsin orphan GPCR 0.0037 0.1722 0.1722
Echinococcus granulosus neuropeptide receptor 0.0037 0.1722 0.1722
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.086 0.3201
Onchocerca volvulus 0.0037 0.1722 1
Trypanosoma brucei cysteine peptidase C (CPC) 0.0049 0.2688 1
Giardia lamblia Cathepsin B precursor 0.0049 0.2688 0.5
Schistosoma mansoni neuropeptide receptor 0.0037 0.1722 0.1722
Echinococcus granulosus neuropeptide receptor A26 0.0037 0.1722 0.1722
Onchocerca volvulus 0.0037 0.1722 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0026 0.086 0.3201
Brugia malayi hypothetical protein 0.0037 0.1722 0.1722
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0037 0.1722 0.1722
Echinococcus granulosus peptide allatostatin:somatostatin 0.0037 0.1722 0.1722
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.086 0.3201
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0037 0.1722 0.1722
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0037 0.1722 0.1722
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0019 0.0274 0.0274
Schistosoma mansoni adenoreceptor 0.0037 0.1722 0.1722
Echinococcus multilocularis rhodopsin orphan GPCR 0.0037 0.1722 0.1722
Echinococcus granulosus cathepsin L cysteine proteinase 0.0026 0.086 0.086
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Echinococcus granulosus neuropeptide Y receptor 0.0037 0.1722 0.1722
Schistosoma mansoni neuropeptide receptor 0.0037 0.1722 0.1722
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.086 0.3201
Brugia malayi hypothetical protein 0.0037 0.1722 0.1722
Plasmodium vivax vivapain-2 0.0026 0.086 1
Brugia malayi cathepsin L-like precursor 0.0019 0.0274 0.0274
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.086 0.3201
Brugia malayi follicle stimulating hormone receptor 0.0037 0.1722 0.1722
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Echinococcus multilocularis G-protein coupled receptor, putative 0.0037 0.1722 0.1722
Echinococcus granulosus g protein coupled receptor 0.0037 0.1722 0.1722
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.086 0.3201
Loa Loa (eye worm) G-protein coupled receptor 0.0037 0.1722 0.1489
Echinococcus granulosus orexin receptor type 2 0.0037 0.1722 0.1722
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.086 0.3201
Onchocerca volvulus Cathepsin L homolog 0.0026 0.086 0.4051
Echinococcus multilocularis rhodopsin orphan GPCR 0.0037 0.1722 0.1722
Brugia malayi G protein-coupled receptor F59B2.13 0.0037 0.1722 0.1722
Brugia malayi Cathepsin L-like precursor 0.0019 0.0274 0.0274
Echinococcus multilocularis g-protein coupled receptor 0.0037 0.1722 0.1722
Echinococcus multilocularis somatostatin receptor 0.0037 0.1722 0.1722
Onchocerca volvulus 0.0026 0.086 0.4051
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.086 0.3201
Trypanosoma cruzi cruzipain precursor, putative 0.0026 0.086 0.086
Onchocerca volvulus 0.0037 0.1722 1
Onchocerca volvulus 0.0037 0.1722 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0037 0.1722 0.1489
Schistosoma mansoni neuropeptide F-like receptor 0.0037 0.1722 0.1722
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0037 0.1722 0.1489
Loa Loa (eye worm) neuropeptide F receptor 0.0037 0.1722 0.1489
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.086 0.3201
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.086 0.3201
Trypanosoma cruzi cysteine peptidase, putative 0.0026 0.086 0.086
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Onchocerca volvulus Cathepsin F homolog 0.0026 0.086 0.4051
Echinococcus granulosus serotonin receptor 0.0037 0.1722 0.1722
Schistosoma mansoni biogenic amine receptor 0.0037 0.1722 0.1722
Brugia malayi Cathepsin L-like precursor 0.0026 0.086 0.086
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0037 0.1722 0.1722
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0037 0.1722 0.1722
Onchocerca volvulus 0.0026 0.086 0.4051
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0037 0.1722 0.1722
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0037 0.1722 0.1722
Brugia malayi Cathepsin L-like precursor 0.0019 0.0274 0.0274
Echinococcus granulosus biogenic amine 5HT receptor 0.0037 0.1722 0.1722
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.086 0.3201
Loa Loa (eye worm) TYRA-2 protein 0.0037 0.1722 0.1489
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0037 0.1722 0.1722
Echinococcus granulosus cathepsin l1 0.0019 0.0274 0.0274
Echinococcus multilocularis cathepsin b 0.0139 1 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0026 0.086 0.0603
Echinococcus multilocularis cathepsin L cysteine protease 0.0026 0.086 0.086
Loa Loa (eye worm) cysteine protease 0.0026 0.086 0.0603
Echinococcus multilocularis neuropeptide receptor 0.0037 0.1722 0.1722
Echinococcus multilocularis serotonin receptor 0.0037 0.1722 0.1722
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.086 0.3201
Schistosoma mansoni hypothetical protein 0.0037 0.1722 0.1722
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Echinococcus granulosus 7tm_1 domain containing protein 0.0037 0.1722 0.1722
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0037 0.1722 0.1722
Echinococcus multilocularis neuropeptide FF receptor 2 0.0037 0.1722 0.1722
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0049 0.2688 1
Onchocerca volvulus 0.0037 0.1722 1
Echinococcus granulosus neuropeptide Y receptor 0.0037 0.1722 0.1722
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Brugia malayi Cathepsin L-like precursor 0.0026 0.086 0.086
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0026 0.086 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0019 0.0274 0.0274
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.086 0.3201
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0037 0.1722 0.1722
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0037 0.1722 0.1722
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0037 0.1722 0.1722
Entamoeba histolytica cysteine proteinase, putative 0.0026 0.086 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0037 0.1722 0.1722
Loa Loa (eye worm) G-protein coupled receptor 0.0037 0.1722 0.1489
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0019 0.0274 0.1018
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.086 0.3201
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0026 0.086 0.086
Echinococcus granulosus alpha 1A adrenergic receptor 0.0037 0.1722 0.1722
Brugia malayi RE15519p 0.0037 0.1722 0.1722
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0026 0.086 0.3201
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.086 0.3201
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0037 0.1722 0.1722
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0037 0.1722 0.1722
Echinococcus granulosus dro:myosuppressin receptor 0.0037 0.1722 0.1722
Onchocerca volvulus 0.0037 0.1722 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0037 0.1722 0.1722
Schistosoma mansoni hypothetical protein 0.0037 0.1722 0.1722
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0037 0.1722 0.1722
Schistosoma mansoni amine GPCR 0.0037 0.1722 0.1722
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0026 0.086 0.3201
Schistosoma mansoni neuropeptide F-like receptor 0.0037 0.1722 0.1722
Loa Loa (eye worm) cathepsin B 0.0049 0.2688 0.2482
Brugia malayi Papain family cysteine protease containing protein 0.0026 0.086 0.086
Loa Loa (eye worm) hypothetical protein 0.0037 0.1722 0.1489
Brugia malayi G protein-coupled receptor 0.0037 0.1722 0.1722
Loa Loa (eye worm) neuropeptide F receptor 0.0037 0.1722 0.1489
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0037 0.1722 0.1489
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0037 0.1722 1

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) = 2.2 uM Concentration for 50% cytotoxicity towards malignant cells expressed in HL-60 neoplastic cell line ChEMBL. 15745812
CC50 (functional) = 2.2 uM Concentration for 50% cytotoxicity towards malignant cells expressed in HL-60 neoplastic cell line ChEMBL. 15745812
CC50 (functional) = 2.6 uM Concentration for 50% cytotoxicity towards malignant cells expressed in HSC-2 neoplastic cell line ChEMBL. 15745812
CC50 (functional) = 5 uM Concentration for 50% cytotoxicity towards malignant cells expressed in HSG neoplastic cell line ChEMBL. 15745812
CC50 (functional) = 7.6 uM Concentration for 50% cytotoxicity towards malignant cells expressed in HSC-3 neoplastic cell line ChEMBL. 15745812
CC50 (functional) = 7.6 uM Concentration for 50% cytotoxicity towards malignant cells expressed in HSC-3 neoplastic cell line ChEMBL. 15745812
CC50 (functional) > 92 uM Selectivity index of compound towards human malignant cell lines ChEMBL. 15745812
CC50 (functional) > 400 uM Concentration for 50% cytotoxicity towards malignant cells expressed in HGF neoplastic cell line ChEMBL. 15745812
CC50 (functional) > 400 uM Concentration for 50% cytotoxicity towards malignant cells expressed in HPC neoplastic cell line ChEMBL. 15745812
CC50 (functional) > 400 uM Concentration for 50% cytotoxicity towards malignant cells expressed in HPLF neoplastic cell line ChEMBL. 15745812
Effect (functional) = 1.95 Effect of compound on multidrug resistance in colon320 neoplasm cells at 4 ug/ml concentration; expressed as fluorescence activity ratio (treated/untreated cells) ChEMBL. 15745812
Effect (functional) = 2.27 Effect of compound on multidrug resistance in colon320 neoplasm cells at 40 ug/ml concentration; expressed as fluorescence activity ratio (treated/untreated cells) ChEMBL. 15745812
Effect (functional) = 3.27 Effect of compound on multidrug resistance in murine L-5178 cells at 4 ug/ml concentration; expressed as fluorescence activity ratio (treated/untreated cells) ChEMBL. 15745812
Effect (functional) = 3.87 Effect of compound on multidrug resistance in murine L-5178 cells at 40 ug/ml concentration; expressed as fluorescence activity ratio (treated/untreated cells) ChEMBL. 15745812

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

1 literature reference was collected for this gene.

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