Detailed information for compound 1358221

Basic information

Technical information
  • TDR Targets ID: 1358221
  • Name: 4-(4-fluorobenzoyl)-N-propylpiperidine-1-carb oxamide
  • MW: 292.349 | Formula: C16H21FN2O2
  • H donors: 1 H acceptors: 2 LogP: 2.38 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCNC(=O)N1CCC(CC1)C(=O)c1ccc(cc1)F
  • InChi: 1S/C16H21FN2O2/c1-2-9-18-16(21)19-10-7-13(8-11-19)15(20)12-3-5-14(17)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,18,21)
  • InChiKey: PLJZPWIKEFZLCK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-fluorobenzoyl)-N-propyl-piperidine-1-carboxamide
  • 4-[(4-fluorophenyl)-oxomethyl]-N-propyl-1-piperidinecarboxamide
  • 4-(4-fluorophenyl)carbonyl-N-propyl-piperidine-1-carboxamide
  • ASN 06587920
  • MLS000122188
  • SMR000119592
  • ZINC04966959
  • 4-(4-Fluoro-benzoyl)-piperidine-1-carboxylic acid propylamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 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
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Brugia malayi 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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0254 0.0254
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.1144 0.1144
Schistosoma mansoni cercarial elastase (S01 family) 0.0023 0.0067 0.0118
Schistosoma mansoni RAR-like nuclear receptor 0.0023 0.0081 0.0143
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0023 0.0081 0.0143
Schistosoma mansoni hypothetical protein 0.0036 0.0428 0.0757
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0101 0.2313 0.4097
Schistosoma mansoni hypothetical protein 0.0124 0.2979 0.5277
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0023 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0147 0.3646 0.4335
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0081 0.012
Mycobacterium tuberculosis Probable conserved integral membrane transport protein YjcE 0.0031 0.03 0.0405
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0082 0.175 0.8847
Brugia malayi jmjC domain containing protein 0.0058 0.1076 0.1597
Brugia malayi hypothetical protein 0.0036 0.0428 0.0635
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0023 0.0067 0.0067
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.4216 0.5854
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0058 0.1076 0.1076
Echinococcus multilocularis mitochondrial sodium:hydrogen exchanger 9B2 0.0031 0.03 0.03
Mycobacterium tuberculosis Conserved protein 0.0043 0.0657 0.0888
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0254 0.0449
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.113 0.1442
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.4216 0.5854
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0088 0.1939 0.2306
Loa Loa (eye worm) hypothetical protein 0.0043 0.0657 0.0781
Plasmodium vivax sodium/hydrogen exchanger 1, putative 0.0031 0.03 0.1037
Brugia malayi Ets-domain containing protein 0.0071 0.1462 0.217
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0082 0.175 0.8847
Toxoplasma gondii sodium/hydrogen exchanger NHE2 0.0031 0.03 0.1037
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0925 0.11
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0101 0.2313 0.4097
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0223 0.0223
Onchocerca volvulus 0.0027 0.0172 0.028
Loa Loa (eye worm) beta-lactamase 0.0043 0.0657 0.0781
Brugia malayi Fli-1 protein 0.0217 0.5646 0.8382
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0023 0.0081 0.012
Loa Loa (eye worm) hypothetical protein 0.0023 0.0067 0.0079
Entamoeba histolytica hypothetical protein 0.0036 0.0428 0.0779
Echinococcus multilocularis expressed protein 0.0368 1 1
Echinococcus multilocularis dual specificity 0.0088 0.1939 0.1939
Brugia malayi Thioredoxin reductase 0.0047 0.0748 0.1111
Brugia malayi beta-lactamase family protein 0.0043 0.0657 0.0975
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0172 0.0204
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.5313 0.6318
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0748 0.2589
Schistosoma mansoni sodium/hydrogen exchanger 3 (nhe3) 0.0031 0.03 0.0531
Echinococcus granulosus ecdysone induced protein 78C 0.0023 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0023 0.0081 0.0096
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0023 0.0081 0.0143
Schistosoma mansoni cercarial elastase (S01 family) 0.0023 0.0067 0.0118
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.4216 0.5854
Echinococcus granulosus amiloride sensitive amine oxidase 0.0084 0.183 0.183
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0101 0.2313 0.2313
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0088 0.1939 0.6709
Brugia malayi nuclear receptor NHR-88 0.0023 0.0081 0.012
Echinococcus granulosus sodium:hydrogen exchanger 7 0.0031 0.03 0.03
Onchocerca volvulus 0.0043 0.0657 0.1071
Loa Loa (eye worm) hypothetical protein 0.0043 0.0657 0.0781
Loa Loa (eye worm) hypothetical protein 0.0023 0.0081 0.0096
Brugia malayi hypothetical protein 0.0031 0.03 0.0445
Schistosoma mansoni cercarial elastase (S01 family) 0.0023 0.0067 0.0118
Schistosoma mansoni lamin 0.0027 0.0172 0.0304
Toxoplasma gondii melibiase subfamily protein 0.0101 0.2313 0.8003
Loa Loa (eye worm) hypothetical protein 0.011 0.2567 0.3052
Mycobacterium tuberculosis Probable reductase 0.0106 0.2468 0.3337
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0374 0.0555
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.128 0.128
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.113 0.1528
Loa Loa (eye worm) hypothetical protein 0.0023 0.0067 0.0079
Schistosoma mansoni cercarial elastase (S01 family) 0.0023 0.0067 0.0118
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0255 0.6736 0.8009
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.4216 0.5854
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0121 0.2891 1
Toxoplasma gondii thioredoxin reductase 0.0047 0.0748 0.2589
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.006 0.1144 0.2027
Loa Loa (eye worm) steroid hormone receptor 0.0023 0.0081 0.0096
Schistosoma mansoni steroid hormone receptor ad4bp 0.0023 0.0081 0.0143
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.113 0.1442
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0657 0.2272
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.4474 0.628
Plasmodium falciparum thioredoxin reductase 0.0047 0.0748 0.2589
Loa Loa (eye worm) hypothetical protein 0.0163 0.409 0.4864
Brugia malayi glutathione reductase 0.0047 0.0748 0.1111
Brugia malayi Ets-domain containing protein 0.0071 0.1462 0.217
Leishmania major hypothetical protein, conserved 0.0121 0.2891 1
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0657 0.0838
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0272 0.724 0.9792
Echinococcus granulosus intermediate filament protein 0.0027 0.0172 0.0172
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0023 0.0081 0.0143
Loa Loa (eye worm) hypothetical protein 0.0049 0.0821 0.0977
Trichomonas vaginalis glucosylceramidase, putative 0.0255 0.6736 1
Echinococcus multilocularis musashi 0.0027 0.0172 0.0172
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0023 0.0081 0.0096
Echinococcus granulosus lysine specific demethylase 5A 0.0058 0.1076 0.1076
Schistosoma mansoni hypothetical protein 0.0031 0.03 0.0531
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.113 0.2001
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.1076 0.1279
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0821 0.1219
Echinococcus multilocularis amiloride sensitive amine oxidase 0.0084 0.183 0.183
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.006 0.1144 0.1699
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0293 0.7834 1
Brugia malayi intermediate filament protein 0.0027 0.0172 0.0255
Brugia malayi ecdysteroid receptor 0.0023 0.0081 0.012
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.113 0.113
Echinococcus granulosus sodium:hydrogen exchanger 2 (nhe2) 0.0132 0.3197 0.3197
Schistosoma mansoni jumonji domain containing protein 0.0058 0.1076 0.1905
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0023 0.0081 0.0096
Loa Loa (eye worm) hypothetical protein 0.011 0.2567 0.3052
Loa Loa (eye worm) hypothetical protein 0.0023 0.0081 0.0096
Onchocerca volvulus 0.0023 0.0067 0.0109
Trypanosoma cruzi Na/H antiporter-like protein, putative 0.0031 0.03 0.1037
Brugia malayi Protein kinase domain containing protein 0.0121 0.2891 0.4292
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0023 0.0081 0.012
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0023 0.0081 0.0143
Loa Loa (eye worm) hypothetical protein 0.0043 0.0657 0.0781
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0101 0.2313 0.2313
Mycobacterium ulcerans beta-lactamase 0.0043 0.0657 0.0838
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.4216 0.5854
Loa Loa (eye worm) hypothetical protein 0.0088 0.1926 0.2291
Echinococcus granulosus sodium:hydrogen exchanger 0.0163 0.409 0.409
Loa Loa (eye worm) hypothetical protein 0.0088 0.1926 0.2291
Schistosoma mansoni hypothetical protein 0.0084 0.183 0.324
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0254 0.0449
Echinococcus multilocularis geminin 0.0167 0.4216 0.4216
Onchocerca volvulus 0.0023 0.0067 0.0109
Echinococcus granulosus tissue type plasminogen activator 0.0121 0.2891 0.2891
Brugia malayi Muscleblind-like protein 0.0147 0.3646 0.5413
Mycobacterium ulcerans ion antiporter, NhaP 0.0031 0.03 0.0383
Loa Loa (eye worm) hypothetical protein 0.0121 0.2891 0.3437
Onchocerca volvulus 0.0087 0.1907 0.3111
Trypanosoma cruzi sodium/hydrogen exchanger, putative 0.0031 0.03 0.1037
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0172 0.0255
Schistosoma mansoni sodium/hydrogen exchanger 0.0163 0.409 0.7245
Brugia malayi Sodium/hydrogen exchanger 8 0.0031 0.03 0.0445
Loa Loa (eye worm) hypothetical protein 0.0023 0.0067 0.0079
Onchocerca volvulus Glucosylceramidase homolog 0.0167 0.4216 0.6878
Entamoeba histolytica protein kinase domain containing protein 0.0088 0.1939 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0067 0.0079
Echinococcus multilocularis lamin dm0 0.0027 0.0172 0.0172
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0023 0.0067 0.0099
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0428 0.0428
Loa Loa (eye worm) hypothetical protein 0.0023 0.0081 0.0096
Echinococcus multilocularis muscleblind protein 1 0.0147 0.3646 0.3646
Brugia malayi Trypsin family protein 0.0023 0.0067 0.0099
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0163 0.409 0.409
Brugia malayi Cytochrome P450 family protein 0.0034 0.0393 0.0583
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.011 0.2567 0.4546
Brugia malayi Kringle domain containing protein 0.0121 0.2891 0.4292
Schistosoma mansoni hypothetical protein 0.0034 0.0374 0.0662
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.2809 0.3799
Brugia malayi Trypsin family protein 0.0023 0.0067 0.0099
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0254 0.0878
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0657 0.0657
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0293 0.7834 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0657 0.0888
Schistosoma mansoni retinoic acid receptor RXR 0.0023 0.0081 0.0143
Schistosoma mansoni cercarial elastase (S01 family) 0.0023 0.0067 0.0118
Mycobacterium ulcerans hypothetical protein 0.0043 0.0657 0.0838
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0081 0.0081
Schistosoma mansoni hypothetical protein 0.0167 0.4216 0.7466
Toxoplasma gondii sodium/hydrogen exchanger 3 protein 0.0031 0.03 0.1037
Brugia malayi Trypsin family protein 0.011 0.2567 0.3811
Brugia malayi steroid hormone receptor 0.0023 0.0081 0.012
Onchocerca volvulus Sodium\/hydrogen exchanger homolog 0.0163 0.409 0.6674
Loa Loa (eye worm) hypothetical protein 0.0067 0.1345 0.1599
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0491 0.0491
Entamoeba histolytica hypothetical protein 0.0036 0.0428 0.0779
Echinococcus multilocularis transmembrane protease serine 3 0.0023 0.0067 0.0067
Trypanosoma brucei trypanothione reductase 0.0047 0.0748 0.0715
Echinococcus multilocularis tissue type plasminogen activator 0.0121 0.2891 0.2891
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.2468 0.3337
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0023 0.0081 0.012
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.128 0.4428
Schistosoma mansoni cercarial elastase (S01 family) 0.0023 0.0067 0.0118
Onchocerca volvulus 0.0121 0.2891 0.4717
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0067 0.1345 0.1132
Echinococcus granulosus FTZ F1 alpha 0.0023 0.0081 0.0081
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.1076 0.1076
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.113 0.3908
Loa Loa (eye worm) hypothetical protein 0.0147 0.3646 0.4335
Schistosoma mansoni intermediate filament proteins 0.0027 0.0172 0.0304
Entamoeba histolytica hypothetical protein 0.0036 0.0428 0.0779
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.113 0.2001
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0081 0.0081
Schistosoma mansoni hypothetical protein 0.0031 0.03 0.0531
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0071 0.1462 0.1738
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.2468 0.3337
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.1076 0.1905
Trichomonas vaginalis set domain proteins, putative 0.0234 0.6129 0.9002
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0657 0.0975
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0081 0.012
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.128 0.4859
Brugia malayi Trypsin family protein 0.0023 0.0067 0.0099
Mycobacterium ulcerans membrane transporter 0.0031 0.03 0.0383
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0023 0.0067 0.0118
Echinococcus granulosus glycoprotein Antigen 5 0.0023 0.0067 0.0067
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.011 0.2567 0.4546
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.006 0.1144 0.1547
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0657 0.2272
Schistosoma mansoni coup transcription factor 0.0023 0.0081 0.0143
Loa Loa (eye worm) hypothetical protein 0.0023 0.0081 0.0096
Trichomonas vaginalis glucosylceramidase, putative 0.0255 0.6736 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0023 0.0081 0.0143
Brugia malayi Pre-SET motif family protein 0.0205 0.5313 0.7888
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0163 0.409 0.409
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0031 0.03 0.0405
Schistosoma mansoni Slc9a7 protein 0.0031 0.03 0.0531
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.006 0.1144 0.3958
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.128 0.19
Giardia lamblia Sodium/hydrogen exchanger 3 0.0163 0.409 0.5
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0657 0.2272
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0023 0.0067 0.0067
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0065 0.128 0.5978
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0023 0.0081 0.0081
Mycobacterium tuberculosis Conserved protein 0.0043 0.0657 0.0888
Brugia malayi hypothetical protein 0.0023 0.0067 0.0099
Plasmodium falciparum cysteine repeat modular protein 1 0.0121 0.2891 1
Trichomonas vaginalis glucosylceramidase, putative 0.0255 0.6736 1
Schistosoma mansoni hypothetical protein 0.0121 0.2891 0.512
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.1076 0.1905
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0657 0.0888
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0023 0.0081 0.0143
Echinococcus multilocularis thyroid hormone receptor alpha 0.0148 0.3653 0.3653
Echinococcus granulosus transmembrane protease serine 3 0.0023 0.0067 0.0067
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0081 0.012
Mycobacterium ulcerans potassium/proton antiporter 0.0031 0.03 0.0383
Schistosoma mansoni hypothetical protein 0.0167 0.4216 0.7466
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.006 0.1144 0.1461
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0023 0.0081 0.0081
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0657 0.0888
Entamoeba histolytica hypothetical protein 0.0088 0.1939 1
Echinococcus multilocularis sodium:hydrogen exchanger 0.0163 0.409 0.409
Loa Loa (eye worm) cytochrome P450 family protein 0.0034 0.0393 0.0467
Brugia malayi photoreceptor-specific nuclear receptor 0.0023 0.0081 0.012
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0023 0.0081 0.0081
Mycobacterium tuberculosis Conserved protein 0.0043 0.0657 0.0888
Loa Loa (eye worm) hypothetical protein 0.0163 0.409 0.4864
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.128 0.128
Brugia malayi Protein kinase domain containing protein 0.0088 0.1939 0.2879
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0748 0.2589
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0023 0.0081 0.0096
Loa Loa (eye worm) hypothetical protein 0.0043 0.0657 0.0781
Echinococcus multilocularis glycoprotein Antigen 5 0.0023 0.0067 0.0067
Echinococcus multilocularis lamin 0.0027 0.0172 0.0172
Schistosoma mansoni thyroid hormone receptor 0.0148 0.3653 0.6471
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0657 0.0781
Brugia malayi beta-lactamase 0.0043 0.0657 0.0975
Loa Loa (eye worm) hypothetical protein 0.0082 0.175 0.2081
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0023 0.0067 0.0118
Echinococcus multilocularis ecdysone induced protein 78C 0.0023 0.0081 0.0081
Echinococcus granulosus GA binding protein alpha chain 0.0071 0.1462 0.1462
Trypanosoma cruzi Na/H antiporter-like protein, putative 0.0031 0.03 0.1037
Mycobacterium leprae Probable lipase LipE 0.0043 0.0657 0.2338
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.2468 0.3337
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.2809 0.3799
Plasmodium vivax SET domain protein, putative 0.0029 0.0254 0.0878
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0124 0.2979 0.2979
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0081 0.012
Onchocerca volvulus 0.0023 0.0067 0.0109
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0081 0.012
Trypanosoma cruzi sodium/hydrogen exchanger, putative 0.0031 0.03 0.1037
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0023 0.0081 0.0081
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0088 0.1939 0.6709
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0023 0.0081 0.012
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0023 0.0067 0.0118
Entamoeba histolytica protein kinase, putative 0.0088 0.1939 1
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0657 0.0888
Onchocerca volvulus Sodium\/hydrogen exchanger homolog 0.0163 0.409 0.6674
Loa Loa (eye worm) sodium/hydrogen exchanger 0.0163 0.409 0.4864
Onchocerca volvulus Bile acid receptor homolog 0.0023 0.0081 0.0131
Brugia malayi Trypsin-like protease protein 5 0.0023 0.0067 0.0099
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0657 0.0888
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0254 0.0449
Schistosoma mansoni serine/threonine protein kinase 0.0088 0.1939 0.3435
Brugia malayi jmjC domain containing protein 0.0058 0.1076 0.1597
Onchocerca volvulus Sodium\/hydrogen exchanger homolog 0.0163 0.409 0.6674
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.113 0.1442
Loa Loa (eye worm) hypothetical protein 0.0027 0.0172 0.0204
Onchocerca volvulus 0.0043 0.0657 0.1071
Echinococcus multilocularis sodium:hydrogen exchanger 7 0.0031 0.03 0.03
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0172 0.0204
Loa Loa (eye worm) hypothetical protein 0.0034 0.0374 0.0444
Loa Loa (eye worm) sodium-hydrogen exchanger NHE1 0.0031 0.03 0.0356
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.1144 0.1144
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0023 0.0081 0.012
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0428 0.0428
Echinococcus granulosus geminin 0.0167 0.4216 0.4216
Leishmania major trypanothione reductase 0.0047 0.0748 0.2589
Onchocerca volvulus 0.0023 0.0081 0.0131
Plasmodium vivax glutathione reductase, putative 0.0047 0.0748 0.2589
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0081 0.012
Onchocerca volvulus 0.0027 0.0172 0.028
Loa Loa (eye worm) hypothetical protein 0.0043 0.0657 0.0781
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0101 0.2313 0.4097
Mycobacterium ulcerans hypothetical protein 0.0023 0.0067 0.0085
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0748 0.0748
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.4216 0.5854
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0163 0.409 0.409
Leishmania major hypothetical protein, conserved 0.0043 0.0657 0.2272
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0023 0.0081 0.012
Loa Loa (eye worm) hypothetical protein 0.0023 0.0081 0.0096
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0491 0.0491
Brugia malayi hypothetical protein 0.012 0.2861 0.4248
Onchocerca volvulus 0.0029 0.0254 0.0414
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.128 0.1522
Brugia malayi nuclear hormone receptor 0.0023 0.0081 0.012
Plasmodium falciparum sodium/hydrogen exchanger, Na+, H+ antiporter 0.0031 0.03 0.1037
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.113 0.3908
Onchocerca volvulus 0.0234 0.6129 1
Mycobacterium leprae probable conserved integral membrane transport protein 0.0031 0.03 0.1067
Echinococcus granulosus sodium:hydrogen exchanger 0.0163 0.409 0.409
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0023 0.0081 0.0096
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0132 0.3197 0.3197
Loa Loa (eye worm) hypothetical protein 0.0043 0.0657 0.0781
Leishmania major hypothetical protein, conserved 0.0031 0.03 0.1037
Loa Loa (eye worm) hypothetical protein 0.0061 0.1164 0.1384
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0163 0.409 0.409
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0023 0.0067 0.0118
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0023 0.0081 0.012
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0101 0.2313 0.2313
Schistosoma mansoni hypothetical protein 0.0023 0.0067 0.0118
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0657 0.0888
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0023 0.0081 0.0096
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0081 0.012
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0254 0.0254
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0748 0.089
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0748 0.0748
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.113 0.113
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0255 0.6736 1
Loa Loa (eye worm) NHE-3 0.0163 0.409 0.4864
Schistosoma mansoni ets-related 0.0217 0.5646 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.7394 1
Brugia malayi Melibiase family protein 0.0067 0.1345 0.1997
Schistosoma mansoni copper/topaquinone oxidase 0.0084 0.183 0.324
Loa Loa (eye worm) trypsin family protein 0.0023 0.0067 0.0079
Loa Loa (eye worm) hypothetical protein 0.0031 0.03 0.0356
Schistosoma mansoni thyroid hormone receptor 0.0148 0.3653 0.6471
Schistosoma mansoni lamin 0.0027 0.0172 0.0304
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0748 0.1012
Loa Loa (eye worm) hypothetical protein 0.0026 0.0158 0.0188
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.128 0.4428
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.128 0.2267
Onchocerca volvulus 0.0023 0.0067 0.0109
Trichomonas vaginalis glucosylceramidase, putative 0.0255 0.6736 1
Onchocerca volvulus 0.011 0.2567 0.4188
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0821 0.1219
Toxoplasma gondii Na+/H+ exchanger NHE1 0.0031 0.03 0.1037
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0067 0.1345 0.2382
Toxoplasma gondii Na+/H+ exchanger NHE3 0.0031 0.03 0.1037
Schistosoma mansoni cercarial elastase (S01 family) 0.0023 0.0067 0.0118
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0023 0.0067 0.0118
Brugia malayi Pre-SET motif family protein 0.0029 0.0254 0.0377
Echinococcus multilocularis lysine specific demethylase 5A 0.0058 0.1076 0.1076
Echinococcus granulosus Mastin 0.0023 0.0067 0.0067
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0657 0.1163
Toxoplasma gondii hypothetical protein 0.0043 0.0631 0.2181
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0023 0.0081 0.0081
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0023 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0163 0.409 0.4864
Echinococcus multilocularis muscleblind protein 0.0147 0.3646 0.3646
Onchocerca volvulus 0.0043 0.0657 0.1071
Trypanosoma cruzi hypothetical protein, conserved 0.0121 0.2891 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.2468 0.3337
Brugia malayi sodium/hydrogen exchanger 3 family protein 0.0163 0.409 0.6073
Trichomonas vaginalis glucosylceramidase, putative 0.0255 0.6736 1
Onchocerca volvulus 0.0031 0.03 0.0489
Loa Loa (eye worm) hypothetical protein 0.0031 0.03 0.0356
Loa Loa (eye worm) hypothetical protein 0.0023 0.0067 0.0079
Schistosoma mansoni cercarial elastase (S01 family) 0.0023 0.0067 0.0118
Brugia malayi sodium/hydrogen exchanger 3 family protein 0.0031 0.03 0.0445
Loa Loa (eye worm) TK/ROR protein kinase 0.0121 0.2891 0.3437
Schistosoma mansoni cercarial elastase (S01 family) 0.0023 0.0067 0.0118
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0088 0.1939 0.6709
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.006 0.1144 0.1461
Schistosoma mansoni cercarial elastase (S01 family) 0.0023 0.0067 0.0118
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0163 0.409 0.409
Echinococcus multilocularis sodium:hydrogen exchanger 0.0163 0.409 0.409
Brugia malayi beta-lactamase family protein 0.0043 0.0657 0.0975
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0106 0.2468 0.8784
Echinococcus granulosus lamin 0.0027 0.0172 0.0172
Echinococcus multilocularis GA binding protein alpha chain 0.0071 0.1462 0.1462
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.2468 0.3337
Echinococcus granulosus enteropeptidase 0.0023 0.0067 0.0067
Toxoplasma gondii ABC1 family protein 0.0043 0.0657 0.2272
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0088 0.1939 1
Echinococcus multilocularis FTZ F1 alpha 0.0023 0.0081 0.0081
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.2809 0.3799
Schistosoma mansoni hypothetical protein 0.0023 0.0067 0.0118
Wolbachia endosymbiont of Brugia malayi Kef-type K+ transport system, membrane component 0.0031 0.03 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0023 0.0067 0.0118
Entamoeba histolytica hypothetical protein 0.0036 0.0428 0.0779
Echinococcus granulosus dual specificity 0.0088 0.1939 0.1939
Loa Loa (eye worm) glutathione reductase 0.0047 0.0748 0.089
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0067 0.1345 0.2382
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0821 0.0977
Onchocerca volvulus 0.0023 0.0067 0.0109
Echinococcus granulosus muscleblind protein 0.0147 0.3646 0.3646
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0163 0.409 0.409
Loa Loa (eye worm) hypothetical protein 0.0023 0.0081 0.0096
Toxoplasma gondii kringle domain-containing protein 0.0121 0.2891 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0023 0.0081 0.0131
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0254 0.0254
Loa Loa (eye worm) fli-1 protein 0.0217 0.5646 0.6714
Echinococcus multilocularis Mastin 0.0023 0.0067 0.0067
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0657 0.0657
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0023 0.0081 0.0081
Schistosoma mansoni nuclear hormone receptor 0.0023 0.0081 0.0143
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0023 0.0081 0.0096
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0081 0.0081
Echinococcus multilocularis enteropeptidase 0.0023 0.0067 0.0067
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.2809 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0657 0.1163
Schistosoma mansoni sodium/hydrogen exchanger 2 (nhe2) 0.0163 0.409 0.7245
Mycobacterium ulcerans lipase LipD 0.0043 0.0657 0.0838
Loa Loa (eye worm) hypothetical protein 0.0313 0.841 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0023 0.0067 0.0118
Schistosoma mansoni gabp alpha 0.0071 0.1462 0.2589
Trichomonas vaginalis glucosylceramidase, putative 0.0255 0.6736 1
Plasmodium falciparum glutathione reductase 0.0047 0.0748 0.2589
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0101 0.2313 0.4097
Echinococcus granulosus mitochondrial sodium:hydrogen exchanger 9B2 0.0031 0.03 0.03
Entamoeba histolytica protein kinase, putative 0.0088 0.1939 1
Chlamydia trachomatis protoporphyrinogen oxidase 0.0021 0 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.4474 0.628
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0254 0.0449
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0023 0.0081 0.0081
Leishmania major Na/H antiporter-like protein 0.0031 0.03 0.1037
Echinococcus granulosus lamin dm0 0.0027 0.0172 0.0172
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0124 0.2979 0.2979
Loa Loa (eye worm) sodium/hydrogen exchanger 3 family protein 0.0163 0.409 0.4864
Trichomonas vaginalis glucosylceramidase, putative 0.0167 0.4216 0.5854
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0023 0.0067 0.0067
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0657 0.2338
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0081 0.0081
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0023 0.0081 0.0096
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0023 0.0081 0.0131
Loa Loa (eye worm) hypothetical protein 0.0029 0.0254 0.0302
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0657 0.0838
Loa Loa (eye worm) hypothetical protein 0.0023 0.0081 0.0096
Brugia malayi Steroid receptor seven-up type 2 0.0023 0.0081 0.012
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0657 0.0888
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0023 0.0081 0.0081
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.128 0.4428
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0428 0.0757
Onchocerca volvulus 0.0031 0.03 0.0489

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-cyp2c9 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) 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
AC50 (functional) = 17.7827941 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
Potency (functional) = 8.9125 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

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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