Detailed information for compound 1199906

Basic information

Technical information
  • TDR Targets ID: 1199906
  • Name: 2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]s ulfanyl]-1-morpholin-4-ylethanone
  • MW: 319.379 | Formula: C15H17N3O3S
  • H donors: 0 H acceptors: 3 LogP: 1.78 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)c1nnc(o1)SCC(=O)N1CCOCC1
  • InChi: 1S/C15H17N3O3S/c1-11-3-2-4-12(9-11)14-16-17-15(21-14)22-10-13(19)18-5-7-20-8-6-18/h2-4,9H,5-8,10H2,1H3
  • InChiKey: QIELAXHMCLKKCK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholino-ethanone
  • 2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-morpholinoethanone
  • 2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-morpholino-ethanone
  • 2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-yl-ethanone
  • ZINC02720277

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0102 0.0174
Loa Loa (eye worm) CHromoDomain protein family member 0.0013 0.0017 0.0023
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0288 0.1041
Loa Loa (eye worm) TAR-binding protein 0.0064 0.054 0.0954
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0102 0.2997
Schistosoma mansoni cpg binding protein 0.0029 0.018 0.0313
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0012 0.0004 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0257 0.0931
Entamoeba histolytica hypothetical protein 0.0024 0.0125 0.1088
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0288 0.1041
Schistosoma mansoni hypothetical protein 0.0049 0.039 0.0686
Echinococcus multilocularis chromobox protein 1 0.007 0.0606 0.0606
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0257 0.0451
Schistosoma mansoni chromosome transmission fidelity factor 0.0012 0.0004 0.0000006175
Echinococcus granulosus chromobox protein 1 0.007 0.0606 0.1078
Brugia malayi RNA, U transporter 1 0.0083 0.0734 0.1299
Brugia malayi SET domain containing protein 0.0013 0.0018 0.0024
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0164 0.1576 0.2797
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0318 0.1354
Brugia malayi Pre-SET motif family protein 0.021 0.2052 0.3645
Echinococcus multilocularis tar DNA binding protein 0.0064 0.054 0.054
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.1637 0.2912
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.0004 0.0000012755
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0014 0.0021 0.0526
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0042 0.0317 0.0557
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0257 0.0458
Schistosoma mansoni tar DNA-binding protein 0.0064 0.054 0.0954
Brugia malayi CHE-14 protein 0.0051 0.0409 0.072
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2752 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0257 0.557
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0021 0.0063
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0125 0.3685
Echinococcus granulosus cpg binding protein 0.0031 0.0197 0.0351
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0257 0.0931
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0021 0.0063
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.111 0.1968
Brugia malayi glutaminase DH11.1 0.0275 0.2724 0.4841
Entamoeba histolytica hypothetical protein 0.0043 0.033 0.2949
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0014 0.0021 0.0155
Schistosoma mansoni tar DNA-binding protein 0.0064 0.054 0.0954
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0169 0.0606
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.2052 0.3645
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0034 0.0236 0.7099
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0318 0.1155
Echinococcus granulosus tar DNA binding protein 0.0064 0.054 0.0961
Echinococcus granulosus importin subunit beta 1 0.0029 0.0181 0.0322
Schistosoma mansoni glutaminase 0.0275 0.2724 0.4841
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0331 0.12
Leishmania major hypothetical protein, conserved 0.0043 0.0331 1
Schistosoma mansoni alpha-glucosidase 0.0141 0.134 0.2377
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0257 0.2289
Brugia malayi Heterochromatin protein 1 0.007 0.0606 0.1071
Brugia malayi beta-lactamase 0.0043 0.0331 0.0581
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.033 0.0588
Schistosoma mansoni hypothetical protein 0.0043 0.033 0.058
Echinococcus multilocularis tumor protein p63 0.0408 0.4098 0.4098
Leishmania major GTP-binding protein, putative 0.0021 0.0102 0.2608
Loa Loa (eye worm) indoleamine 2,3-dioxygenase 0.0556 0.5622 1
Brugia malayi indoleamine 2,3-dioxygenase 0.0556 0.5622 1
Entamoeba histolytica Ran family GTPase 0.0021 0.0102 0.0885
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.033 0.058
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0257 0.0931
Loa Loa (eye worm) beta-lactamase 0.0043 0.0331 0.0581
Schistosoma mansoni importin beta-1 0.0029 0.0181 0.0315
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.1576 0.1576
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0257 0.0931
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0257 0.0931
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0257 0.0257
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0257 0.0931
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0331 0.12
Brugia malayi RNA binding protein 0.0064 0.054 0.0954
Loa Loa (eye worm) hypothetical protein 0.0039 0.0288 0.0504
Schistosoma mansoni chromobox protein 0.007 0.0606 0.1071
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0015 0.0031 0.01
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0169 0.0606
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0318 0.1155
Echinococcus granulosus snurportin 1 0.031 0.3082 0.5483
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0068 0.0233
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0257 0.7753
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0257 0.0931
Brugia malayi Glycosyl hydrolases family 31 protein 0.0164 0.1576 0.2797
Schistosoma mansoni hypothetical protein 0.0556 0.5622 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0409 0.072
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0198 0.0345
Treponema pallidum DNA ligase (lig) 0.0012 0.0004 0.5
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0013 0.0017 0.003
Mycobacterium ulcerans hypothetical protein 0.0043 0.0331 0.12
Onchocerca volvulus 0.0029 0.018 0.0766
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0013 0.0017 0.0017
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0331 0.0581
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0331 0.0588
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0257 0.0931
Echinococcus granulosus Protein patched homolog 1 0.0051 0.0409 0.0727
Trypanosoma brucei glycosyl hydrolase-like protein 0.0014 0.0021 0.0526
Brugia malayi CHD4 protein 0.0013 0.0017 0.0023
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0257 0.0451
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0021 0.0063
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0181 0.3895
Entamoeba histolytica hypothetical protein 0.0043 0.033 0.2949
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0198 0.4272
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0257 0.0931
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0198 0.0353
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0198 0.0198
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0068 0.0233
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0068 0.0233
Schistosoma mansoni patched 1 0.0051 0.0409 0.072
Echinococcus granulosus expressed conserved protein 0.0112 0.1035 0.1842
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.0409 0.072
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0068 0.0233
Brugia malayi beta-lactamase family protein 0.0043 0.0331 0.0581
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.018 0.0313
Loa Loa (eye worm) hypothetical protein 0.0014 0.0021 0.0031
Mycobacterium ulcerans lipase LipD 0.0043 0.0331 0.12
Schistosoma mansoni chromobox protein 0.007 0.0606 0.1071
Brugia malayi chromobox protein homolog 3 0.0039 0.0288 0.0504
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0409 0.1487
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0014 0.0021 0.0063
Leishmania major ferric reductase, putative 0.0034 0.0236 0.6938
Echinococcus multilocularis nibrin 0.0012 0.0004 0.0004
Brugia malayi hypothetical protein 0.0043 0.033 0.058
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0012 0.0004 0.0000031374
Echinococcus multilocularis snurportin 1 0.031 0.3082 0.3082
Schistosoma mansoni alpha-glucosidase 0.0141 0.134 0.2377
Trichomonas vaginalis chromobox protein, putative 0.007 0.0606 0.2212
Echinococcus multilocularis protein dispatched 1 0.0058 0.0483 0.0483
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0499 0.088
Entamoeba histolytica hypothetical protein 0.0043 0.033 0.2949
Onchocerca volvulus 0.006 0.0499 0.2121
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.111 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.0331 0.12
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0102 0.0182
Loa Loa (eye worm) hypothetical protein 0.0043 0.0331 0.0581
Onchocerca volvulus 0.0239 0.2351 1
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.0409 0.0727
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0068 0.0233
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.111 0.1974
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0125 0.0442
Loa Loa (eye worm) hypothetical protein 0.0031 0.02 0.0348
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0331 0.0581
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0198 0.0345
Brugia malayi Pre-SET motif family protein 0.0031 0.0198 0.0345
Loa Loa (eye worm) hypothetical protein 0.0119 0.111 0.1968
Loa Loa (eye worm) glutaminase 2 0.0275 0.2724 0.4841
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0331 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0331 0.0581
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0331 0.12
Echinococcus multilocularis protein patched 0.0051 0.0409 0.0409
Trichomonas vaginalis glutaminase, putative 0.0275 0.2724 1
Schistosoma mansoni hypothetical protein 0.0412 0.4135 0.7352
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0198 0.0345
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0331 0.12
Plasmodium vivax importin-beta 2, putative 0.0029 0.0181 0.5422
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0257 0.7629
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0459 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0526 0.0929
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0014 0.0021 0.0091
Onchocerca volvulus 0.0042 0.0317 0.1348
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.111 0.111
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.054 0.0954
Trypanosoma brucei ferric reductase transmembrane protein, putative 0.0034 0.0236 0.7099
Schistosoma mansoni tar DNA-binding protein 0.0064 0.054 0.0954
Mycobacterium ulcerans glutaminase 0.0275 0.2724 1
Leishmania major importin beta-1 subunit, putative 0.0024 0.0125 0.3334
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0198 0.0198
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0021 0.0063
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0018 0.0068 0.0233
Trichomonas vaginalis maltase-glucoamylase, putative 0.0014 0.0021 0.0063
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0125 0.0442
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0257 0.2289
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.033 0.033
Loa Loa (eye worm) hypothetical protein 0.0031 0.0198 0.0345
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0257 0.7753
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0036 0.0118
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0068 0.0233
Loa Loa (eye worm) hypothetical protein 0.0043 0.0331 0.0581
Schistosoma mansoni cpg binding protein 0.0031 0.0197 0.0343
Echinococcus granulosus nibrin 0.0012 0.0004 0.0008
Echinococcus granulosus replication factor c subunit 1 0.0012 0.0004 0.0008
Echinococcus granulosus dnaJ subfamily B 0.0412 0.4135 0.7354
Echinococcus multilocularis expressed conserved protein 0.0112 0.1035 0.1035
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.0409 0.0409
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0102 0.2153
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.1637 0.1637
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0331 0.0581
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0102 0.0102
Loa Loa (eye worm) hypothetical protein 0.0043 0.0331 0.0581
Onchocerca volvulus 0.0043 0.0331 0.1407
Loa Loa (eye worm) hypothetical protein 0.0029 0.0181 0.0315
Echinococcus multilocularis replication factor c subunit 1 0.0012 0.0004 0.0004
Brugia malayi Importin beta-1 subunit 0.0029 0.0181 0.0315
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0015 0.0036 0.0118
Onchocerca volvulus 0.0043 0.0331 0.1407
Brugia malayi beta-lactamase family protein 0.0043 0.0331 0.0581
Trichomonas vaginalis set domain proteins, putative 0.0239 0.2351 0.8629
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0013 0.0017 0.0023
Brugia malayi Glycosyl hydrolases family 31 protein 0.0014 0.0021 0.0031
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0331 0.0581
Plasmodium falciparum importin beta, putative 0.0029 0.0181 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0288 0.1223
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0018 0.0068 0.0233
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0014 0.0021 0.0526
Schistosoma mansoni ran 0.0021 0.0102 0.0174
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0331 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0499 0.088
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0331 1
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0181 0.0181
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0331 0.12
Onchocerca volvulus 0.0031 0.02 0.085
Onchocerca volvulus Dual oxidase homolog 0.0073 0.0637 0.2709
Echinococcus multilocularis indoleamine 2,3 dioxygenase 2 0.0556 0.5622 0.5622
Trichomonas vaginalis ran, putative 0.0021 0.0102 0.036
Schistosoma mansoni alpha glucosidase 0.0036 0.0257 0.0451
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0125 0.0442
Brugia malayi Blistered cuticle protein 3 0.0073 0.0637 0.1126
Trichomonas vaginalis esterase, putative 0.0043 0.0331 0.12
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.018 0.0321
Brugia malayi TAR-binding protein 0.0064 0.054 0.0954
Schistosoma mansoni hypothetical protein 0.0049 0.039 0.0686
Loa Loa (eye worm) hypothetical protein 0.0039 0.0282 0.0495
Loa Loa (eye worm) hypothetical protein 0.0043 0.0331 0.0581
Schistosoma mansoni hypothetical protein 0.0049 0.039 0.0686
Loa Loa (eye worm) hypothetical protein 0.0043 0.0331 0.0581
Loa Loa (eye worm) RNA binding protein 0.0064 0.054 0.0954
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0102 1
Echinococcus granulosus tumor protein p63 0.0408 0.4098 0.7289
Echinococcus multilocularis lysosomal alpha glucosidase 0.0164 0.1576 0.1576
Onchocerca volvulus 0.0095 0.0861 0.3663
Toxoplasma gondii ATPase, AAA family protein 0.0012 0.0004 0.000007635
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.1129 0.2002
Echinococcus granulosus chromobox protein 1 0.007 0.0606 0.1078
Schistosoma mansoni ran 0.0021 0.0102 0.0174
Onchocerca volvulus 0.0012 0.0004 0.0018
Brugia malayi CXXC zinc finger family protein 0.0029 0.018 0.0313
Echinococcus granulosus indoleamine 23 dioxygenase 2 0.0556 0.5622 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0164 0.1576 0.2803
Schistosoma mansoni tar DNA-binding protein 0.0064 0.054 0.0954
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0.0004 0.0000012755
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0331 0.0331
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0102 0.2997
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0181 0.5422
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0102 0.0174
Schistosoma mansoni hypothetical protein 0.0049 0.039 0.0686
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0331 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0331 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0331 0.12
Trypanosoma brucei glucosidase, putative 0.0036 0.0257 0.7753
Schistosoma mansoni tar DNA-binding protein 0.0064 0.054 0.0954
Mycobacterium leprae Probable lipase LipE 0.0043 0.0331 1
Loa Loa (eye worm) glutaminase 0.0275 0.2724 0.4841
Entamoeba histolytica hypothetical protein 0.0043 0.033 0.2949
Chlamydia trachomatis DNA ligase 0.0012 0.0004 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.0606 0.1071
Trichomonas vaginalis chromobox protein, putative 0.007 0.0606 0.2212
Plasmodium vivax SET domain protein, putative 0.0031 0.0198 0.5946
Schistosoma mansoni hypothetical protein 0.031 0.3082 0.5479
Toxoplasma gondii ABC1 family protein 0.0043 0.0331 0.7184
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0014 0.0021 0.0063
Loa Loa (eye worm) blistered cuticle protein 3 0.0073 0.0637 0.1126
Onchocerca volvulus 0.0043 0.0331 0.1407
Echinococcus multilocularis dnaJ subfamily B 0.0412 0.4135 0.4135
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0102 0.2997
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0331 0.12
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0102 0.2997
Schistosoma mansoni cpg binding protein 0.0031 0.0197 0.0343
Trypanosoma cruzi ferric reductase transmembrane protein, putative 0.0034 0.0236 0.7099
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0102 0.5527
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.031 0.3082 0.5479
Trichomonas vaginalis alpha-glucosidase, putative 0.0014 0.0021 0.0063
Trichomonas vaginalis replication factor C large subunit, putative 0.0012 0.0004 0.0000012755
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.054 0.0954
Loa Loa (eye worm) hypothetical protein 0.0062 0.0527 0.0931
Echinococcus multilocularis cpg binding protein 0.0031 0.0197 0.0197
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0181 0.5422
Echinococcus multilocularis chromobox protein 1 0.007 0.0606 0.0606
Schistosoma mansoni hypothetical protein 0.0556 0.5622 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1472 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) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 7.3078 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) = 7.9433 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) 9.285 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) 11.2202 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3489 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) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 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
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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