Detailed information for compound 1220297

Basic information

Technical information
  • TDR Targets ID: 1220297
  • Name: 5-(4-chlorophenyl)-N-[2-[(4-fluorophenyl)amin o]-2-oxoethyl]-N-methylfuran-2-carboxamide
  • MW: 386.804 | Formula: C20H16ClFN2O3
  • H donors: 1 H acceptors: 2 LogP: 4.07 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(C(=O)c1ccc(o1)c1ccc(cc1)Cl)C)Nc1ccc(cc1)F
  • InChi: 1S/C20H16ClFN2O3/c1-24(12-19(25)23-16-8-6-15(22)7-9-16)20(26)18-11-10-17(27-18)13-2-4-14(21)5-3-13/h2-11H,12H2,1H3,(H,23,25)
  • InChiKey: WCHQSTICYJSRSZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(4-chlorophenyl)-N-[2-[(4-fluorophenyl)amino]-2-oxo-ethyl]-N-methyl-furan-2-carboxamide
  • 5-(4-chlorophenyl)-N-[2-[(4-fluorophenyl)amino]-2-oxoethyl]-N-methyl-2-furancarboxamide
  • 5-(4-chlorophenyl)-N-[2-[(4-fluorophenyl)amino]-2-keto-ethyl]-N-methyl-2-furamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0062 0.2905 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0062 0.2905 0.4453
Echinococcus granulosus aryl hydrocarbon receptor 0.0015 0.0227 0.062
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0059 0.2684 0.4106
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0474 0.0474
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.1457 0.4089
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1457 0.218
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0062 0.2905 1
Trichomonas vaginalis ap endonuclease, putative 0.0059 0.2684 0.7508
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0012 0.0068 0.0068
Brugia malayi PAS domain containing protein 0.0056 0.2564 0.2564
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0227 0.0456
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0012 0.0068 0.0061
Trichomonas vaginalis ap endonuclease, putative 0.0059 0.2684 0.7508
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0012 0.0068 0.0171
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0062 0.2905 0.2906
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0062 0.2905 0.2906
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0015 0.0227 0.0249
Schistosoma mansoni cpg binding protein 0.0035 0.1349 0.3677
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0059 0.2684 0.2463
Brugia malayi Cytochrome P450 family protein 0.0062 0.2905 0.2905
Loa Loa (eye worm) hypothetical protein 0.006 0.2779 0.2773
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0074 0.3552 0.5468
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0012 0.0068 0.0061
Brugia malayi bHLH-PAS transcription factor 0.0042 0.1744 0.1744
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1457 0.218
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0062 0.2905 0.2906
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0062 0.2905 1
Loa Loa (eye worm) CCR4-NOT transcription complex subunit 6 family protein 0.0012 0.0068 0.0061
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0126 0.6439 1
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0062 0.2905 0.2906
Loa Loa (eye worm) cytochrome P450 family protein 0.0126 0.6439 0.6436
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0062 0.2905 0.2906
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2779 0.2779
Loa Loa (eye worm) hypothetical protein 0.0012 0.0068 0.0061
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0062 0.2905 0.2906
Leishmania major cytochrome p450-like protein 0.0062 0.2905 0.4453
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2779 0.2779
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0062 0.2905 1
Echinococcus multilocularis 0.0062 0.2905 0.8174
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0012 0.0068 0.0068
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0062 0.2905 1
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0062 0.2905 0.2906
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.1457 0.3987
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0015 0.0227 0.0249
Trichomonas vaginalis adenylate cyclase, putative 0.0015 0.0227 0.0456
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0012 0.0068 0.0171
Loa Loa (eye worm) cytochrome P450 0.0062 0.2905 0.29
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0062 0.2905 0.2906
Leishmania major cytochrome p450-like protein 0.0126 0.6439 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.1242 0.4138
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.1349 0.1343
Onchocerca volvulus 0.0042 0.1744 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0074 0.3552 1
Echinococcus granulosus inositol polyphosphate 5 phosphatase OCRL 1 0.0012 0.0068 0.0171
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0059 0.2684 1
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0062 0.2905 0.2906
Echinococcus multilocularis neutral sphingomyelinase 0.0012 0.0068 0.0171
Brugia malayi CXXC zinc finger family protein 0.0035 0.1349 0.1349
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0012 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0012 0.0068 0.0061
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0062 0.2905 0.2906
Echinococcus granulosus ubiquitin specific protease 41 0.0074 0.3552 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0074 0.3552 0.5468
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0474 0.0466
Trichomonas vaginalis guanylate cyclase, putative 0.0015 0.0227 0.0456
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0062 0.2905 1
Trypanosoma cruzi cytochrome P450, putative 0.0126 0.6439 1
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0062 0.2905 0.2906
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0062 0.2905 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0062 0.2905 1
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0012 0.0068 0.0061
Brugia malayi Cytochrome P450 family protein 0.0126 0.6439 0.6439
Echinococcus multilocularis deoxyribonuclease 1 2 0.0012 0.0068 0.0171
Brugia malayi Inositol-1 0.0037 0.1457 0.1457
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.1242 0.3791
Echinococcus multilocularis ubiquitin specific protease 41 0.0074 0.3552 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0056 0.2564 0.7164
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0062 0.2905 0.4453
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0059 0.2684 1
Schistosoma mansoni cytochrome P450 0.0062 0.2905 0.8143
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0062 0.2905 0.2906
Echinococcus granulosus neutral sphingomyelinase 0.0012 0.0068 0.0171
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.1457 0.4089
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0474 0.1314
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0012 0.0068 0.0068
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0062 0.2905 0.2906
Loa Loa (eye worm) hypoxia-induced factor 1 0.0174 0.9179 0.9179
Echinococcus multilocularis inositol polyphosphate 5 phosphatase OCRL 1 0.0012 0.0068 0.0171
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0074 0.3552 0.5468
Trypanosoma brucei cytochrome P450, putative 0.0126 0.6439 1
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0062 0.2905 0.2906
Brugia malayi cytochrome P450 0.0062 0.2905 0.2905
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0062 0.2905 0.4453
Brugia malayi CCR4 0.0012 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0019 0.0474 0.1163
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.3552 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0082 0.4026 0.4022
Toxoplasma gondii exonuclease III APE 0.0059 0.2684 0.8665
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0015 0.0227 0.0456
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.1457 0.4601
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0062 0.2905 0.2906
Echinococcus multilocularis cpg binding protein 0.0037 0.146 0.4097
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0062 0.2905 1
Echinococcus multilocularis aryl hydrocarbon receptor 0.0015 0.0227 0.062
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.1457 0.3987
Echinococcus granulosus CCR4 NOT transcription complex subunit 6 0.0012 0.0068 0.0171
Loa Loa (eye worm) hypothetical protein 0.0012 0.0068 0.0061
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0074 0.3552 1
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0015 0.0227 0.062
Treponema pallidum exodeoxyribonuclease (exoA) 0.0059 0.2684 1
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0012 0.0068 0.0068
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0059 0.2684 0.4106
Loa Loa (eye worm) inositol-1 0.0037 0.1457 0.1451
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0074 0.3552 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0474 0.1314
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0062 0.2905 0.2906
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0227 0.0456
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0012 0.0068 0.0061
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0074 0.3552 0.5468
Loa Loa (eye worm) hypothetical protein 0.0063 0.2941 0.2935
Loa Loa (eye worm) hypothetical protein 0.0189 1 1
Echinococcus granulosus single minded 2 0.0042 0.1744 0.4898
Echinococcus granulosus traf and tnf receptor associated protein 0.0012 0.0068 0.0171
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0059 0.2684 0.4106
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.1457 0.3987
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0059 0.2684 0.9221
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0059 0.2684 0.7508
Schistosoma mansoni hypothetical protein 0.0062 0.2905 0.8143
Echinococcus granulosus synaptojanin 1 0.0012 0.0068 0.0171
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0015 0.0227 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0059 0.2684 0.4106
Echinococcus granulosus cpg binding protein 0.0037 0.146 0.4097
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.3527 0.9928
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0015 0.0227 0.0456
Schistosoma mansoni ap endonuclease 0.0059 0.2684 0.7508
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0059 0.2684 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0015 0.0227 0.0249
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0015 0.0227 0.0456
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0074 0.3552 1
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0012 0.0068 0.0068
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0062 0.2905 1
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0062 0.2905 1
Echinococcus multilocularis synaptojanin 1 0.0012 0.0068 0.0171
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0062 0.2905 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0062 0.2905 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0062 0.2905 1
Schistosoma mansoni cpg binding protein 0.0037 0.146 0.3995
Schistosoma mansoni cpg binding protein 0.0037 0.146 0.3995
Schistosoma mansoni inositol monophosphatase 0.0037 0.1457 0.3987
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0015 0.0227 0.0249
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0015 0.0227 0.0249
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0059 0.2684 0.7551
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1457 0.218
Brugia malayi exodeoxyribonuclease III family protein 0.0059 0.2684 0.2684
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0074 0.3552 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1712 0.1705
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.1457 0.218
Schistosoma mansoni single-minded 0.0056 0.2564 0.7164
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1712 0.1712
Echinococcus granulosus cytochrome P450 2K1 0.0062 0.2905 0.8174
Echinococcus multilocularis transfer RNA-Lys 0.0042 0.1744 0.4898
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0062 0.2905 0.4453
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0062 0.2905 1
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0062 0.2905 0.2906
Leishmania major cytochrome p450-like protein 0.0062 0.2905 0.4453
Loa Loa (eye worm) hypothetical protein 0.0012 0.0068 0.0061
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0074 0.3552 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.3087 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0126 0.6439 0.6436
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0074 0.3552 1
Schistosoma mansoni hypothetical protein 0.0019 0.0474 0.1163
Trypanosoma cruzi cytochrome P450, putative 0.0126 0.6439 1
Mycobacterium ulcerans putative regulatory protein 0.0042 0.1744 0.0575
Mycobacterium leprae putative cytochrome p450 0.0062 0.2905 1
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0227 0.0456
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0012 0.0068 0.0068
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0059 0.2684 0.7551
Echinococcus multilocularis CCR4 NOT transcription complex subunit 6 0.0012 0.0068 0.0171
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0062 0.2905 1
Schistosoma mansoni hypothetical protein 0.0019 0.0474 0.1163
Trichomonas vaginalis guanylate cyclase, putative 0.0015 0.0227 0.0456
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0474 0.1314
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0062 0.2905 1
Schistosoma mansoni hypothetical protein 0.0041 0.1712 0.4717
Brugia malayi hypoxia-induced factor 1 0.0174 0.9179 0.9179
Leishmania major protein kinase, putative 0.0015 0.0227 0.0249
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0062 0.2905 0.4453
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0059 0.2684 0.7508
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0062 0.2905 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0474 0.1314
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0015 0.0227 0.062
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0074 0.3552 1
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0015 0.0227 0.0456
Echinococcus granulosus GPCR family 2 0.0019 0.0474 0.1314
Loa Loa (eye worm) hypothetical protein 0.0015 0.0227 0.022
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0062 0.2905 0.2906
Loa Loa (eye worm) CYP4Cod1 0.0126 0.6439 0.6436
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0062 0.2905 1
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0012 0.0068 0.0068
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0062 0.2905 0.2906
Schistosoma mansoni inositol monophosphatase 0.0037 0.1457 0.3987
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0015 0.0227 0.0249
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0012 0.0068 0.0061
Mycobacterium leprae Conserved hypothetical protein 0.0062 0.2905 1
Toxoplasma gondii cytochrome p450 superfamily protein 0.0062 0.2905 0.9397
Echinococcus multilocularis traf and tnf receptor associated protein 0.0012 0.0068 0.0171
Brugia malayi Cytochrome P450 family protein 0.0082 0.4026 0.4026
Onchocerca volvulus 0.0035 0.1349 0.7646
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0015 0.0227 0.022
Schistosoma mansoni hypothetical protein 0.0019 0.0474 0.1163
Schistosoma mansoni ap endonuclease 0.0059 0.2684 0.7508
Onchocerca volvulus 0.0015 0.0227 0.0949
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0062 0.2905 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.3552 0.3547
Brugia malayi Cytochrome P450 family protein 0.0126 0.6439 0.6439
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0074 0.3552 0.3552
Loa Loa (eye worm) hypothetical protein 0.0019 0.0474 0.0466
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0012 0.0068 0.0068
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0015 0.0227 0.0456
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0074 0.3552 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0074 0.3552 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0474 0.0474
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.1457 0.3987
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0015 0.0227 0.0249
Leishmania major protein kinase, putative 0.0015 0.0227 0.0249
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0474 0.1314
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2779 0.2773
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0059 0.2684 0.2679
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0062 0.2905 0.2906

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.8526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 2.3323 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 23.9341 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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