Detailed information for compound 1282213

Basic information

Technical information
  • TDR Targets ID: 1282213
  • Name: N-[2-(2-chlorophenyl)ethyl]-3-[3-(2-fluorophe nyl)-1,2,4-oxadiazol-5-yl]propanamide
  • MW: 373.809 | Formula: C19H17ClFN3O2
  • H donors: 1 H acceptors: 3 LogP: 4.03 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CCc1onc(n1)c1ccccc1F)NCCc1ccccc1Cl
  • InChi: 1S/C19H17ClFN3O2/c20-15-7-3-1-5-13(15)11-12-22-17(25)9-10-18-23-19(24-26-18)14-6-2-4-8-16(14)21/h1-8H,9-12H2,(H,22,25)
  • InChiKey: HZSHPSGJNQFGRE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(2-chlorophenyl)ethyl]-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propionamide
  • SMR000025729
  • MLS000091167

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0245 0.2261 0.2261
Schistosoma mansoni tar DNA-binding protein 0.0272 0.2539 0.3432
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0044 0.0133 0.0756
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0634 0.6357 1
Trichomonas vaginalis ran, putative 0.0044 0.0133 0.0411
Trichomonas vaginalis D-aminoacylase, putative 0.015 0.1253 0.5435
Loa Loa (eye worm) hypothetical protein 0.0059 0.0299 0.047
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0201 0.1789 0.1579
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0196 0.0196
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0044 0.0133 0.1065
Leishmania major GTP-binding protein, putative 0.0044 0.0133 0.0756
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0044 0.0133 0.5
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.0268 0.0268
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0042 0.0057
Brugia malayi RNA, U transporter 1 0.0169 0.1453 0.5723
Echinococcus multilocularis importin subunit beta 1 0.0059 0.0299 0.0299
Trypanosoma brucei importin beta-1 subunit, putative 0.0059 0.0299 0.2121
Mycobacterium ulcerans hypothetical protein 0.015 0.1253 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0219 0.1464
Loa Loa (eye worm) glutathione reductase 0.0079 0.0507 0.0798
Brugia malayi beta-lactamase family protein 0.015 0.1253 0.4935
Schistosoma mansoni ran 0.0044 0.0133 0.018
Schistosoma mansoni tar DNA-binding protein 0.0272 0.2539 0.3432
Schistosoma mansoni ran 0.0044 0.0133 0.018
Brugia malayi Thioredoxin reductase 0.0079 0.0507 0.1998
Echinococcus granulosus tar DNA binding protein 0.0272 0.2539 0.3432
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0219 0.1749
Loa Loa (eye worm) hypothetical protein 0.015 0.1253 0.1971
Toxoplasma gondii thioredoxin reductase 0.0079 0.0507 0.4048
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.1337 0.5263
Schistosoma mansoni hypothetical protein 0.0733 0.7399 1
Trypanosoma cruzi hypothetical protein, conserved 0.015 0.1253 1
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0196 0.0265
Brugia malayi beta-lactamase 0.015 0.1253 0.4935
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0048 0.018 0.0622
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.015 0.1253 1
Schistosoma mansoni hypothetical protein 0.0733 0.7399 1
Onchocerca volvulus 0.0091 0.0635 0.2797
Trichomonas vaginalis conserved hypothetical protein 0.0179 0.1565 0.6833
Leishmania major trypanothione reductase 0.0079 0.0507 0.3843
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0081 0.0522 0.2058
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0219 0.2294
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0957 0.977 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0121 0.095 0.095
Trypanosoma cruzi hypothetical protein, conserved 0.015 0.1253 1
Brugia malayi RNA binding protein 0.0272 0.2539 1
Schistosoma mansoni alpha-glucosidase 0.0136 0.1105 0.1493
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.1337 0.1337
Plasmodium vivax thioredoxin reductase, putative 0.0079 0.0507 0.4048
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0081 0.0522 0.0522
Entamoeba histolytica hypothetical protein 0.0048 0.018 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0044 0.0133 0.0756
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0293 0.0396
Mycobacterium tuberculosis Conserved protein 0.015 0.1253 0.1013
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.015 0.1253 0.1013
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0196 0.0265
Loa Loa (eye worm) hypothetical protein 0.0081 0.0522 0.0822
Schistosoma mansoni hypothetical protein 0.0634 0.6357 0.8592
Schistosoma mansoni tar DNA-binding protein 0.0272 0.2539 0.3432
Brugia malayi Pre-SET motif family protein 0.0216 0.1955 0.7699
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.015 0.1253 0.1013
Schistosoma mansoni lipoxygenase 0.0085 0.0566 0.0765
Loa Loa (eye worm) hypothetical protein 0.0184 0.1618 0.2545
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0121 0.095 0.1284
Schistosoma mansoni hypothetical protein 0.0302 0.2853 0.3856
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0181 0.1577 0.1355
Mycobacterium tuberculosis Probable lipase LipE 0.015 0.1253 0.1013
Echinococcus multilocularis serotonin receptor 0.0124 0.0984 0.0984
Loa Loa (eye worm) hypothetical protein 0.0056 0.0268 0.0422
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0044 0.0133 0.0756
Echinococcus granulosus geminin 0.0733 0.7399 1
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0219 0.1749
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0048 0.018 0.0622
Toxoplasma gondii HEAT repeat-containing protein 0.0059 0.0299 0.2384
Plasmodium vivax hypothetical protein, conserved 0.015 0.1253 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0245 0.2261 0.8904
Leishmania major hypothetical protein, conserved 0.0052 0.0219 0.1464
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0245 0.2261 0.3056
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.1337 0.1337
Plasmodium falciparum glutathione reductase 0.0079 0.0507 1
Trichomonas vaginalis D-aminoacylase, putative 0.015 0.1253 0.5435
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.0268 0.0268
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0293 0.0396
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0219 0.1464
Onchocerca volvulus 0.015 0.1253 0.5519
Echinococcus granulosus biogenic amine 5HT receptor 0.0124 0.0984 0.133
Loa Loa (eye worm) hypothetical protein 0.015 0.1253 0.1971
Schistosoma mansoni alpha-glucosidase 0.0136 0.1105 0.1493
Trypanosoma cruzi importin beta-1 subunit, putative 0.0048 0.018 0.1143
Loa Loa (eye worm) hypothetical protein 0.015 0.1253 0.1971
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.1337 0.2102
Loa Loa (eye worm) hypothetical protein 0.0052 0.0219 0.0345
Echinococcus multilocularis tar DNA binding protein 0.0272 0.2539 0.2539
Plasmodium vivax importin-beta 2, putative 0.0059 0.0299 0.2384
Trypanosoma brucei importin beta-1 subunit, putative 0.0059 0.0299 0.2121
Echinococcus multilocularis thioredoxin glutathione reductase 0.008 0.0518 0.0518
Brugia malayi mbt repeat family protein 0.005 0.0196 0.0771
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.015 0.1253 0.1971
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0044 0.0133 0.0526
Schistosoma mansoni tar DNA-binding protein 0.0272 0.2539 0.3432
Echinococcus granulosus snurportin 1 0.0634 0.6357 0.8592
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0044 0.0133 0.0133
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0042 0.0165
Mycobacterium ulcerans esterase/lipase LipP 0.015 0.1253 1
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0184 0.1618 0.6371
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0081 0.0522 0.0522
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0196 0.0265
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0293 0.2071
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0245 0.2261 0.2261
Mycobacterium ulcerans beta-lactamase 0.015 0.1253 1
Leishmania major hypothetical protein, conserved 0.015 0.1253 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.0984 0.1548
Brugia malayi TAR-binding protein 0.0272 0.2539 1
Schistosoma mansoni lipoxygenase 0.0121 0.095 0.1284
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0245 0.2261 0.3056
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.0268 0.0362
Brugia malayi glutathione reductase 0.0079 0.0507 0.1998
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0196 0.0265
Plasmodium falciparum thioredoxin reductase 0.0079 0.0507 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.0268 0.0362
Loa Loa (eye worm) hypothetical protein 0.015 0.1253 0.1971
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0181 0.1577 0.1355
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0219 0.1464
Trichomonas vaginalis penicillin-binding protein, putative 0.015 0.1253 0.5435
Echinococcus granulosus beta LACTamase domain containing family member 0.015 0.1253 0.1694
Schistosoma mansoni tar DNA-binding protein 0.0272 0.2539 0.3432
Onchocerca volvulus 0.015 0.1253 0.5519
Mycobacterium tuberculosis Probable hydrolase 0.015 0.1253 0.1013
Loa Loa (eye worm) TAR-binding protein 0.0272 0.2539 0.3995
Mycobacterium tuberculosis Probable dehydrogenase 0.0181 0.1577 0.1355
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0201 0.1789 1
Echinococcus granulosus microtubule associated protein 2 0.0718 0.7241 0.9787
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0081 0.0522 0.0706
Loa Loa (eye worm) beta-lactamase 0.015 0.1253 0.1971
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0245 0.2261 0.3056
Loa Loa (eye worm) MBCTL1 0.0056 0.0268 0.0422
Onchocerca volvulus 0.015 0.1253 0.5519
Echinococcus granulosus GTP binding nuclear protein Ran 0.0044 0.0133 0.018
Schistosoma mansoni apoptosis regulator bax 0.0081 0.0522 0.0706
Trichomonas vaginalis set domain proteins, putative 0.0246 0.227 1
Brugia malayi Importin beta-1 subunit 0.0059 0.0299 0.1177
Trichomonas vaginalis D-aminoacylase, putative 0.015 0.1253 0.5435
Plasmodium vivax glutathione reductase, putative 0.0079 0.0507 0.4048
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0044 0.0133 0.1065
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0042 0.0334
Schistosoma mansoni alpha glucosidase 0.0035 0.0042 0.0057
Schistosoma mansoni microtubule-associated protein tau 0.0718 0.7241 0.9787
Brugia malayi beta-lactamase family protein 0.015 0.1253 0.4935
Entamoeba histolytica Ran family GTPase 0.0044 0.0133 0.6614
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0042 0.0066
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0044 0.0133 0.021
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.0196 0.0862
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.0268 0.0362
Schistosoma mansoni hypothetical protein 0.0081 0.0522 0.0706
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0216 0.1955 0.3075
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0195 0.1734 0.2344
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0081 0.0522 0.0706
Loa Loa (eye worm) hypothetical protein 0.0124 0.0984 0.1548
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0079 0.0507 0.0226
Echinococcus multilocularis beta LACTamase domain containing family member 0.015 0.1253 0.1253
Schistosoma mansoni biogenic amine (5HT) receptor 0.0124 0.0984 0.133
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0201 0.1789 0.1579
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0181 0.1577 0.1355
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0219 0.2294
Mycobacterium tuberculosis Probable lipase LipD 0.015 0.1253 0.1013
Mycobacterium tuberculosis Probable esterase LipL 0.015 0.1253 0.1013
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.015 0.1253 0.4935
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0196 0.0196
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0272 0.2539 0.3995
Mycobacterium tuberculosis Conserved protein 0.015 0.1253 0.1013
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.015 0.1253 0.1694
Loa Loa (eye worm) apoptosis regulator protein 0.0081 0.0522 0.0822
Onchocerca volvulus 0.0246 0.227 1
Mycobacterium tuberculosis Conserved protein 0.015 0.1253 0.1013
Echinococcus granulosus importin subunit beta 1 0.0059 0.0299 0.0404
Trichomonas vaginalis penicillin-binding protein, putative 0.015 0.1253 0.5435
Mycobacterium tuberculosis Probable oxidoreductase 0.0201 0.1789 0.1579
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0181 0.1577 0.6036
Brugia malayi hypothetical protein 0.0033 0.0025 0.01
Loa Loa (eye worm) hypothetical protein 0.015 0.1253 0.1971
Schistosoma mansoni hypothetical protein 0.0081 0.0522 0.0706
Echinococcus granulosus thioredoxin glutathione reductase 0.008 0.0518 0.0701
Brugia malayi RNA recognition motif domain containing protein 0.0272 0.2539 1
Leishmania major importin beta-1 subunit, putative 0.0048 0.018 0.1143
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0042 0.0042
Trypanosoma cruzi trypanothione reductase, putative 0.0079 0.0507 0.3843
Echinococcus multilocularis serotonin receptor 0.0124 0.0984 0.0984
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0181 0.1577 0.1355
Trypanosoma brucei trypanothione reductase 0.0079 0.0507 0.3843
Mycobacterium tuberculosis Probable conserved lipoprotein 0.015 0.1253 0.1013
Brugia malayi hypothetical protein 0.0052 0.0219 0.0863
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0245 0.2261 0.3557
Loa Loa (eye worm) RNA binding protein 0.0272 0.2539 0.3995
Schistosoma mansoni hypothetical protein 0.0081 0.0522 0.0706
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0245 0.2261 0.3056
Trypanosoma brucei hypothetical protein, conserved 0.015 0.1253 1
Brugia malayi mbt repeat family protein 0.005 0.0196 0.0771
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.0196 0.0265
Onchocerca volvulus 0.005 0.0196 0.0862
Echinococcus multilocularis microtubule associated protein 2 0.0718 0.7241 0.7241
Plasmodium falciparum importin beta, putative 0.0059 0.0299 0.4422
Loa Loa (eye worm) hypothetical protein 0.005 0.0196 0.0308
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0293 0.2336
Echinococcus multilocularis geminin 0.0733 0.7399 0.7399
Trichomonas vaginalis esterase, putative 0.015 0.1253 0.5435
Loa Loa (eye worm) hypothetical protein 0.015 0.1253 0.1971
Schistosoma mansoni importin beta-1 0.0059 0.0299 0.0404
Trichomonas vaginalis importin beta-1, putative 0.0048 0.018 0.0622
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.015 0.1253 0.1694
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0293 0.0396
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0195 0.1734 0.1734
Mycobacterium tuberculosis Probable reductase 0.0181 0.1577 0.1355
Loa Loa (eye worm) thioredoxin reductase 0.0079 0.0507 0.0798
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.1337 0.1806
Mycobacterium ulcerans lipase LipD 0.015 0.1253 1
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0081 0.0522 0.0706
Toxoplasma gondii ABC1 family protein 0.015 0.1253 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.0268 0.1056
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0245 0.2261 0.3056
Echinococcus multilocularis snurportin 1 0.0634 0.6357 0.6357
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0196 0.0308
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0293 0.0293

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.0418 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) 5.0119 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3078 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 16.5113 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) 23.1093 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] 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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