Detailed information for compound 1321843

Basic information

Technical information
  • TDR Targets ID: 1321843
  • Name: 3,4,8-trimethyl-7-[4-nitro-2-(trifluoromethyl )phenoxy]-2H-chromen-2-one
  • MW: 393.313 | Formula: C19H14F3NO5
  • H donors: 0 H acceptors: 3 LogP: 4.81 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1ccc(c(c1)C(F)(F)F)Oc1ccc2c(c1C)oc(=O)c(c2C)C
  • InChi: 1S/C19H14F3NO5/c1-9-10(2)18(24)28-17-11(3)15(7-5-13(9)17)27-16-6-4-12(23(25)26)8-14(16)19(20,21)22/h4-8H,1-3H3
  • InChiKey: FNSJRPRFZPFEMP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • MLS000575652
  • SMR000196686
  • ZINC01154551

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.2414 0.2407
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0025 0.0148 0.0247
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0038 0.0052
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0157 0.1801
Brugia malayi Cytochrome P450 family protein 0.0013 0.0009 0.0016
Loa Loa (eye worm) hypothetical protein 0.0024 0.0137 0.0233
Loa Loa (eye worm) hypothetical protein 0.0015 0.0038 0.0052
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0419 0.041
Echinococcus granulosus cpg binding protein 0.0036 0.027 0.0463
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.0544 0.1078
Mycobacterium leprae Probable lipase LipE 0.0043 0.0349 0.4854
Schistosoma mansoni zinc finger protein 0.0017 0.0058 0.0099
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0349 0.4854
Schistosoma mansoni hypothetical protein 0.0047 0.0386 0.0759
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0035 0.0049
Schistosoma mansoni hypothetical protein 0.0015 0.0038 0.0058
Echinococcus multilocularis dnaJ subfamily B 0.0461 0.4978 0.4974
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0419 0.0727
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.0419 0.5855
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0068 0.0625 0.1094
Echinococcus granulosus neuropeptide receptor A26 0.0521 0.5645 1
Loa Loa (eye worm) hypothetical protein 0.005 0.042 0.0745
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.0709 0.1409
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0349 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0064 0.0576 0.8103
Trypanosoma brucei ISWI complex protein 0.0017 0.0058 0.1443
Loa Loa (eye worm) hypothetical protein 0.0015 0.0035 0.0049
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.008 0.0143
Brugia malayi beta-lactamase 0.0043 0.0349 0.0631
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0069 0.0633 0.1108
Echinococcus granulosus intermediate filament protein 0.0053 0.0449 0.0782
Loa Loa (eye worm) hypothetical protein 0.0043 0.0346 0.0611
Echinococcus granulosus lamin 0.0053 0.0449 0.0782
Onchocerca volvulus 0.0053 0.0449 1
Echinococcus granulosus lamin dm0 0.0053 0.0449 0.0782
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0053 0.0449 0.0799
Echinococcus granulosus X box binding protein 1 0.0282 0.299 0.5289
Schistosoma mansoni jumonji/arid domain-containing protein 0.0061 0.0544 0.1078
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.0709 1
Onchocerca volvulus 0.0043 0.0349 0.5497
Loa Loa (eye worm) hypothetical protein 0.002 0.0087 0.0143
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0349 0.5
Brugia malayi CXXC zinc finger family protein 0.0032 0.0225 0.0408
Schistosoma mansoni jumonji domain containing protein 0.0015 0.0035 0.0054
Trypanosoma cruzi ISWI complex protein 0.0017 0.0058 0.1443
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.05 0.0492
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0028 0.0179 0.0308
Brugia malayi cytochrome P450 0.0013 0.0009 0.0016
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0419 0.1396
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.0157 0.1801
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0349 1
Onchocerca volvulus 0.0043 0.0349 0.5497
Brugia malayi Bromodomain containing protein 0.0043 0.0345 0.0624
Brugia malayi beta-lactamase family protein 0.0043 0.0349 0.0631
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0349 0.034
Loa Loa (eye worm) hypothetical protein 0.0043 0.0349 0.0616
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.0625 0.8807
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0038 0.0029
Echinococcus granulosus JmjC domain containing protein 4 0.0015 0.0035 0.0048
Mycobacterium tuberculosis Conserved protein 0.0043 0.0349 0.1157
Echinococcus granulosus survival motor neuron protein 1 0.023 0.2414 0.4267
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.008 0.0143
Brugia malayi Cytochrome P450 family protein 0.0059 0.052 0.094
Echinococcus granulosus lysine specific demethylase 5A 0.0061 0.0544 0.095
Loa Loa (eye worm) hypothetical protein 0.0043 0.0349 0.0616
Brugia malayi Bromodomain containing protein 0.0086 0.0824 0.1491
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0124 0.021
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0087 0.0159
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0349 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0236 0.0412
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2946 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0349 0.1157
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.05 0.0492
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0709 1
Echinococcus multilocularis jumonji domain containing 1A 0.0015 0.0035 0.0027
Echinococcus multilocularis neuropeptide s receptor 0.0521 0.5645 0.5642
Brugia malayi jmjC domain containing protein 0.0015 0.0035 0.0064
Loa Loa (eye worm) hypothetical protein 0.0015 0.0035 0.0049
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.0625 0.8807
Schistosoma mansoni phosphatidylserine receptor 0.0015 0.0035 0.0054
Schistosoma mansoni bromodomain containing protein 0.0073 0.0678 0.1347
Schistosoma mansoni survival motor neuron protein 0.0047 0.0386 0.0759
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.008 0.0126
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0038 0.0051
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0349 0.4649
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0015 0.0035 0.0789
Schistosoma mansoni zinc finger protein 0.0024 0.0132 0.0247
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0419 0.1396
Brugia malayi Lipocalin / cytosolic fatty-acid binding protein family protein 0.0511 0.5527 1
Echinococcus granulosus jumonji domain containing 1A 0.0015 0.0035 0.0048
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0709 1
Brugia malayi PHD-finger family protein 0.003 0.0198 0.0359
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0225 0.0393
Loa Loa (eye worm) hypothetical protein 0.0043 0.0349 0.0616
Echinococcus granulosus lysine specific demethylase 6a 0.0015 0.0035 0.0048
Echinococcus granulosus fatty acid binding protein FABP2 0.0034 0.0241 0.0413
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0169 0.0322
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0169 0.016
Echinococcus multilocularis lamin dm0 0.0053 0.0449 0.0441
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.0709 0.5
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0015 0.0035 0.0789
Trypanosoma cruzi ISWI complex protein 0.0017 0.0058 0.1443
Mycobacterium ulcerans lipase LipD 0.0043 0.0349 0.4854
Loa Loa (eye worm) hypothetical protein 0.0043 0.0349 0.0616
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0236 0.0427
Mycobacterium tuberculosis Conserved protein 0.0043 0.0349 0.1157
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0349 0.1157
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.052 0.0926
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0068 0.0625 0.0617
Loa Loa (eye worm) hypothetical protein 0.0076 0.0709 0.1269
Echinococcus multilocularis X box binding protein 1 0.0282 0.299 0.2984
Brugia malayi jmjC domain containing protein 0.0057 0.05 0.0905
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0349 0.5
Echinococcus multilocularis lysine specific demethylase 6a 0.0015 0.0035 0.0027
Loa Loa (eye worm) hypothetical protein 0.0053 0.0449 0.0799
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0349 0.1157
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0169 0.0284
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0349 0.1157
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0386 0.0698
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0407 0.0736
Echinococcus multilocularis cpg binding protein 0.0036 0.027 0.0261
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0349 0.1157
Onchocerca volvulus 0.0043 0.0349 0.5497
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0035 0.0049
Echinococcus multilocularis phd:f box containing protein 0.0015 0.0035 0.0027
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.05 0.0872
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.0316 0.0544
Leishmania major hypothetical protein, conserved 0.0015 0.0035 0.0435
Schistosoma mansoni fatty acid binding protein 0.0034 0.0241 0.0468
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0349 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.0709 0.1242
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0709 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0349 0.0684
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0349 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0035 0.0049
Loa Loa (eye worm) lipocalin/cytosolic fatty-acid binding protein family protein 0.0511 0.5527 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0068 0.0625 0.2099
Echinococcus granulosus neuropeptide s receptor 0.0521 0.5645 1
Echinococcus granulosus GPCR family 2 0.0015 0.0038 0.0051
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0015 0.0035 0.0383
Schistosoma mansoni hypothetical protein 0.0033 0.0236 0.0457
Echinococcus granulosus phd:f box containing protein 0.0015 0.0035 0.0048
Echinococcus multilocularis neuropeptide receptor A26 0.0521 0.5645 0.5642
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.0625 0.8807
Schistosoma mansoni hypothetical protein 0.0282 0.299 0.6
Leishmania major hypothetical protein, conserved 0.0043 0.0349 0.5512
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.008 0.0071
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.002 0.0087 0.0079
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0349 0.4854
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0349 0.1157
Brugia malayi intermediate filament protein 0.0053 0.0449 0.0813
Brugia malayi beta-lactamase family protein 0.0043 0.0349 0.0631
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0349 0.0603
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0069 0.0633 0.0625
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0709 1
Echinococcus multilocularis GPCR, family 2 0.0015 0.0038 0.0029
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0407 0.0736
Echinococcus granulosus dnaJ subfamily B 0.0461 0.4978 0.8816
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.0625 0.1241
Echinococcus multilocularis fatty acid binding protein FABP2 0.0034 0.0241 0.0233
Echinococcus multilocularis zinc finger protein 0.0024 0.0132 0.0123
Loa Loa (eye worm) beta-lactamase 0.0043 0.0349 0.0616
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0019 0.008 0.0126
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0349 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0709 0.5
Echinococcus multilocularis JmjC domain containing protein 4 0.0015 0.0035 0.0027
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0015 0.0035 0.0054
Echinococcus multilocularis musashi 0.0053 0.0449 0.0441
Toxoplasma gondii ABC1 family protein 0.0043 0.0349 0.4854
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0019 0.008 0.0071
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0025 0.0148 0.0139
Brugia malayi Probable ClpP-like protease 0.0076 0.0709 0.1283
Loa Loa (eye worm) hypothetical protein 0.0043 0.0349 0.0616
Schistosoma mansoni hypothetical protein 0.0015 0.0038 0.0058
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0349 0.1157
Schistosoma mansoni jumonji domain containing protein 0.0057 0.05 0.0989
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0349 0.0616
Loa Loa (eye worm) hypothetical protein 0.008 0.075 0.1344
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0015 0.0035 0.0789
Loa Loa (eye worm) hypothetical protein 0.0046 0.0376 0.0665
Schistosoma mansoni fatty acid binding protein 0.0034 0.0241 0.0468
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0038 0.0029
Brugia malayi Cytochrome P450 family protein 0.0013 0.0009 0.0016
Brugia malayi jmjC domain containing protein 0.0015 0.0035 0.0064
Schistosoma mansoni lamin 0.0053 0.0449 0.0887
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0087 0.0159
Brugia malayi Cytochrome P450 family protein 0.0013 0.0009 0.0016
Brugia malayi jmjC domain containing protein 0.0015 0.0035 0.0064
Toxoplasma gondii hypothetical protein 0.0026 0.0157 0.2115
Echinococcus multilocularis lamin 0.0053 0.0449 0.0441
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0709 0.5
Schistosoma mansoni cpg binding protein 0.0036 0.027 0.0525
Mycobacterium ulcerans hypothetical protein 0.0043 0.0349 0.4854
Schistosoma mansoni hypothetical protein 0.0015 0.0038 0.0058
Schistosoma mansoni lamin 0.0053 0.0449 0.0887
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0709 1
Toxoplasma gondii aldehyde dehydrogenase 0.0068 0.0625 0.8807
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0349 0.1157
Brugia malayi Intermediate filament tail domain containing protein 0.0053 0.0449 0.0813
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0038 0.0051
Onchocerca volvulus 0.0053 0.0449 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0709 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0137 0.0233
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0038 0.0068
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0349 0.4854
Schistosoma mansoni protein phosphatase 2C 0.0015 0.0035 0.0054
Brugia malayi hypothetical protein 0.023 0.2414 0.4367
Echinococcus multilocularis fatty acid binding protein FABP2 0.0034 0.0241 0.0233
Schistosoma mansoni phd/f-box containing protein 0.0015 0.0035 0.0054
Brugia malayi cytoplasmic intermediate filament protein 0.0028 0.0179 0.0323
Loa Loa (eye worm) hypothetical protein 0.0025 0.0148 0.0252
Loa Loa (eye worm) hypothetical protein 0.0052 0.0439 0.0779
Mycobacterium ulcerans beta-lactamase 0.0043 0.0349 0.4854
Loa Loa (eye worm) hypothetical protein 0.0049 0.0407 0.0722
Schistosoma mansoni cpg binding protein 0.0036 0.027 0.0525
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.0709 0.0701
Trichomonas vaginalis esterase, putative 0.0043 0.0349 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0069 0.0628 0.1246
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0038 0.0068
Schistosoma mansoni cpg binding protein 0.0032 0.0225 0.0436
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0087 0.0142
Schistosoma mansoni hypothetical protein 0.0023 0.0124 0.0233
Schistosoma mansoni hypothetical protein 0.0017 0.0058 0.0099
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0015 0.0035 0.0383
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0349 0.0631
Loa Loa (eye worm) intermediate filament protein 0.0053 0.0449 0.0799
Echinococcus granulosus histone lysine methyltransferase setb 0.002 0.0087 0.014
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.0625 0.1241
Loa Loa (eye worm) hypothetical protein 0.0015 0.0035 0.0049
Brugia malayi jmjC domain containing protein 0.0015 0.0035 0.0064
Schistosoma mansoni hypothetical protein 0.0015 0.0038 0.0058
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.0316 0.0307
Schistosoma mansoni intermediate filament proteins 0.0053 0.0449 0.0887
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0026 0.0157 0.2115
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.0709 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0349 0.0684
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0068 0.0625 1
Leishmania major hypothetical protein, conserved 0.0017 0.0058 0.0795
Loa Loa (eye worm) hypothetical protein 0.0043 0.0349 0.0616
Echinococcus granulosus zinc finger protein 0.0024 0.0132 0.0218
Loa Loa (eye worm) hypothetical protein 0.023 0.2414 0.4358
Schistosoma mansoni hypothetical protein 0.0461 0.4978 1
Brugia malayi jmjC domain containing protein 0.0061 0.0544 0.0985
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0407 0.0722
Echinococcus granulosus fatty acid binding protein FABP2 0.0034 0.0241 0.0413
Onchocerca volvulus 0.0047 0.0386 0.7173
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0544 0.0971

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 2.511886432 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 5.011872336 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 7.943282347 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 11.6891 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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