Detailed information for compound 1269240

Basic information

Technical information
  • TDR Targets ID: 1269240
  • Name: Oprea1_486184
  • MW: 397.448 | Formula: C20H19N3O4S
  • H donors: 0 H acceptors: 2 LogP: 2.4 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN=C(N(C1CC(=O)N(C1=O)c1ccccc1)Cc1ccc2c(c1)OCO2)S
  • InChi: 1S/C20H19N3O4S/c1-21-20(28)22(11-13-7-8-16-17(9-13)27-12-26-16)15-10-18(24)23(19(15)25)14-5-3-2-4-6-14/h2-9,15H,10-12H2,1H3,(H,21,28)
  • InChiKey: PPUHJLJDXLWRCE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-Benzo[1,3]dioxol-5-ylmethyl-1-(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)-3-methyl-thiourea
  • MLS000332520
  • SMR000221794
  • STOCK3S-23531

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens snurportin 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ran, 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
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 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
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, 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
Schistosoma mansoni importin beta-1 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
Theileria parva GTP-binding nuclear protein ran, putative 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
Plasmodium falciparum 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
Loa Loa (eye worm) hypothetical protein 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
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica hypothetical protein 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
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
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
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Candida albicans karyopherin-beta 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
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran 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
Leishmania braziliensis 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
Schistosoma mansoni ran 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
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, 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
Theileria parva importin beta, putative 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
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, 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 falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus GTP binding nuclear protein Ran 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
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis importin beta-1, 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
Leishmania major GTP-binding protein, 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
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, 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
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis GTP-binding protein, 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
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0152 0.3583 0.4139
Schistosoma mansoni DNA ligase IV 0.0052 0.0662 0.0662
Giardia lamblia Replication factor C, subunit 1 0.0052 0.0662 0.0765
Loa Loa (eye worm) hypothetical protein 0.0052 0.0662 0.0662
Schistosoma mansoni adenosine kinase 0.0259 0.67 0.67
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0057 0.0792 0.1181
Loa Loa (eye worm) hypothetical protein 0.0326 0.8658 0.8658
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0052 0.0662 0.0765
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0156 0.0232
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0156 0.0156
Loa Loa (eye worm) pigment dispersing factor receptor c 0.016 0.3822 0.3822
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0141 0.3261 0.3261
Trypanosoma cruzi nucleoside transporter 1, putative 0.0057 0.0792 0.1181
Schistosoma mansoni hypothetical protein 0.011 0.234 0.234
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.016 0.3822 0.4415
Trypanosoma brucei adenosine transporter 2 0.0057 0.0792 0.1181
Entamoeba histolytica nucleoside transporter, putative 0.0057 0.0792 0.0914
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0057 0.0792 0.0914
Leishmania major inosine-guanosine transporter;with=GeneDB:LinJ36_V3.2040 0.0057 0.0792 0.1181
Entamoeba histolytica nucleoside transporter, putative 0.0326 0.8658 1
Entamoeba histolytica hypothetical protein 0.0152 0.3583 0.4139
Schistosoma mansoni hypothetical protein 0.0349 0.9328 0.9328
Echinococcus multilocularis adenosine kinase 0.0259 0.67 0.67
Brugia malayi hypothetical protein 0.0057 0.0792 0.0914
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0057 0.0792 0.0914
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0052 0.0662 0.0989
Onchocerca volvulus 0.0229 0.5839 0.6743
Brugia malayi DKFZp564C0469 protein 0.0052 0.0662 0.0765
Echinococcus multilocularis tar DNA binding protein 0.0141 0.3261 0.3261
Loa Loa (eye worm) hypothetical protein 0.0051 0.062 0.062
Entamoeba histolytica hypothetical protein 0.0152 0.3583 0.4139
Trypanosoma cruzi nucleobase transporter, putative 0.0057 0.0792 0.1181
Trypanosoma brucei unspecified product 0.0057 0.0792 0.1181
Brugia malayi hypothetical protein 0.0052 0.0662 0.0765
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0057 0.0792 0.1181
Trypanosoma cruzi nucleoside transporter-like, putative 0.0057 0.0792 0.1181
Echinococcus granulosus replication factor c subunit 1 0.0052 0.0662 0.0662
Treponema pallidum DNA ligase (lig) 0.0052 0.0662 0.5
Trypanosoma brucei unspecified product 0.0057 0.0792 0.1181
Brugia malayi Latrophilin receptor protein 2 0.0051 0.062 0.0717
Onchocerca volvulus 0.0052 0.0662 0.0765
Trypanosoma cruzi nucleoside transporter 1, putative 0.0057 0.0792 0.1181
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0051 0.062 0.062
Loa Loa (eye worm) RNA binding protein 0.0141 0.3261 0.3261
Trichomonas vaginalis replication factor C large subunit, putative 0.0052 0.0662 0.0765
Trypanosoma brucei adenosine transporter 2 0.0057 0.0792 0.1181
Plasmodium falciparum replication factor C subunit 1, putative 0.0052 0.0662 1
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0326 0.8658 1
Trypanosoma brucei adenosine transporter 2, putative 0.0057 0.0792 0.1181
Echinococcus multilocularis GPCR, family 2 0.0051 0.062 0.062
Schistosoma mansoni importin beta-1 0.0035 0.0156 0.0156
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0052 0.0662 0.0765
Entamoeba histolytica hypothetical protein 0.0152 0.3583 0.4139
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0052 0.0662 1
Brugia malayi RNA recognition motif domain containing protein 0.0141 0.3261 0.3767
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0057 0.0792 0.0914
Leishmania major nucleoside transporter 1, putative 0.0057 0.0792 0.1181
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0662 0.0765
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0326 0.8658 1
Echinococcus multilocularis equilibrative nucleoside transporter protein 0.0326 0.8658 0.8658
Echinococcus granulosus geminin 0.0349 0.9328 0.9328
Schistosoma mansoni tar DNA-binding protein 0.0141 0.3261 0.3261
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0662 0.0765
Leishmania major nucleobase transporter 0.0057 0.0792 0.1181
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0152 0.3583 0.3583
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0052 0.0662 0.0989
Schistosoma mansoni tar DNA-binding protein 0.0141 0.3261 0.3261
Echinococcus multilocularis snurportin 1 0.0372 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0662 0.0765
Brugia malayi Nucleoside transporter family protein 0.0326 0.8658 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0662 0.0662
Trypanosoma brucei purine nucleoside transporter 0.0057 0.0792 0.1181
Brugia malayi hypothetical protein 0.0326 0.8658 1
Trypanosoma cruzi hypothetical protein, conserved 0.0052 0.0662 0.0989
Loa Loa (eye worm) hypothetical protein 0.0057 0.0792 0.0792
Trypanosoma brucei adenosine transporter 2, putative 0.0057 0.0792 0.1181
Echinococcus granulosus equilibrative nucleoside transporter 3 0.0326 0.8658 0.8658
Brugia malayi Importin beta-1 subunit 0.0035 0.0156 0.018
Brugia malayi RNA, U transporter 1 0.0099 0.2032 0.2346
Loa Loa (eye worm) hypothetical protein 0.0259 0.67 0.67
Schistosoma mansoni tar DNA-binding protein 0.0141 0.3261 0.3261
Echinococcus multilocularis equilibrative nucleoside transporter 3 0.0326 0.8658 0.8658
Brugia malayi follicle stimulating hormone receptor 0.0268 0.6973 0.8053
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0052 0.0662 0.0765
Schistosoma mansoni protein kinase 0.0057 0.0792 0.0792
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0152 0.3583 0.3583
Entamoeba histolytica hypothetical protein 0.0052 0.0662 0.0765
Schistosoma mansoni hypothetical protein 0.0152 0.3583 0.3583
Toxoplasma gondii nucleoside transporter protein 0.0057 0.0792 0.1181
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0051 0.062 0.062
Echinococcus granulosus nibrin 0.0052 0.0662 0.0662
Trypanosoma brucei nucleobase/nucleoside transporter 8.1 0.0057 0.0792 0.1181
Brugia malayi TAR-binding protein 0.0141 0.3261 0.3767
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0057 0.0792 0.0914
Loa Loa (eye worm) TAR-binding protein 0.0141 0.3261 0.3261
Trypanosoma cruzi FHA domain containing protein, putative 0.0052 0.0662 0.0989
Loa Loa (eye worm) hypothetical protein 0.0052 0.0662 0.0662
Echinococcus multilocularis replication factor c subunit 1 0.0052 0.0662 0.0662
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0268 0.6973 0.6973
Loa Loa (eye worm) hypothetical protein 0.0035 0.0156 0.0156
Trypanosoma brucei adenosine transporter 2, putative 0.0057 0.0792 0.1181
Loa Loa (eye worm) latrophilin receptor protein 2 0.0051 0.062 0.062
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0057 0.0792 0.1181
Leishmania major nucleoside transporter 1, putative 0.0057 0.0792 0.1181
Trypanosoma brucei adenosine kinase, putative 0.0259 0.67 1
Schistosoma mansoni hypothetical protein 0.0051 0.062 0.062
Trypanosoma brucei adenosine transporter 2, putative 0.0057 0.0792 0.1181
Toxoplasma gondii nucleoside transporter protein 0.0057 0.0792 0.1181
Schistosoma mansoni topbp1 0.0052 0.0662 0.0662
Trypanosoma cruzi nucleobase transporter, putative 0.0057 0.0792 0.1181
Loa Loa (eye worm) hypothetical protein 0.0052 0.0662 0.0662
Entamoeba histolytica hypothetical protein 0.0152 0.3583 0.4139
Schistosoma mansoni equilibrative nucleoside transporter 0.0057 0.0792 0.0792
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0156 0.0232
Trypanosoma brucei adenosine kinase, putative 0.0259 0.67 1
Echinococcus granulosus equilibrative nucleoside transporter 0.0326 0.8658 0.8658
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 1 1
Toxoplasma gondii nucleoside transporter protein 0.0057 0.0792 0.1181
Trypanosoma cruzi hypothetical protein, conserved 0.0052 0.0662 0.0989
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog 0.0326 0.8658 1
Echinococcus granulosus adenosine kinase 0.0259 0.67 0.67
Echinococcus multilocularis nibrin 0.0052 0.0662 0.0662
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0052 0.0662 0.0765
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0051 0.062 0.0717
Trypanosoma cruzi adenosine kinase, putative 0.0259 0.67 1
Trypanosoma brucei purine nucleoside transporter 0.0057 0.0792 0.1181
Trypanosoma brucei nucleoside transporter 1, putative 0.0057 0.0792 0.1181
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0052 0.0662 0.5
Trypanosoma cruzi nucleoside transporter 1, putative 0.0057 0.0792 0.1181
Leishmania major nucleobase transporter 0.0057 0.0792 0.1181
Trypanosoma brucei nucleoside transporter 1, putative 0.0057 0.0792 0.1181
Schistosoma mansoni adenosine kinase 0.0259 0.67 0.67
Mycobacterium tuberculosis Adenosine kinase 0.0029 0 0.5
Brugia malayi hypothetical protein 0.0052 0.0662 0.0765
Plasmodium vivax replication factor C subunit 1, putative 0.0052 0.0662 1
Mycobacterium tuberculosis 6-phosphofructokinase PfkB (phosphohexokinase) (phosphofructokinase) 0.0029 0 0.5
Toxoplasma gondii kinase, pfkB family protein 0.0259 0.67 1
Loa Loa (eye worm) hypothetical protein 0.0326 0.8658 0.8658
Trypanosoma cruzi nucleobase transporter, putative 0.0057 0.0792 0.1181
Brugia malayi topoisomerase 0.0052 0.0662 0.0765
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0057 0.0792 0.1181
Echinococcus multilocularis equilibrative nucleoside transporter 3 0.0269 0.7005 0.7005
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0662 0.0765
Giardia lamblia Hypothetical protein 0.0326 0.8658 1
Schistosoma mansoni transcription factor LCR-F1 0.0152 0.3583 0.3583
Echinococcus granulosus tar DNA binding protein 0.0141 0.3261 0.3261
Trypanosoma brucei nucleobase/nucleoside transporter 8.1, putative 0.0057 0.0792 0.1181
Trypanosoma brucei adenosine transporter 2, putative 0.0057 0.0792 0.1181
Echinococcus multilocularis geminin 0.0349 0.9328 0.9328
Brugia malayi Pax transcription activation domain interacting protein 0.0052 0.0662 0.0765
Mycobacterium tuberculosis Ribokinase RbsK 0.0029 0 0.5
Echinococcus granulosus importin subunit beta 1 0.0035 0.0156 0.0156
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0326 0.8658 1
Schistosoma mansoni chromosome transmission fidelity factor 0.0052 0.0662 0.0662
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0326 0.8658 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0051 0.062 0.062
Schistosoma mansoni hypothetical protein 0.0051 0.062 0.062
Schistosoma mansoni hypothetical protein 0.0051 0.062 0.062
Schistosoma mansoni topbp1 0.0052 0.0662 0.0662
Loa Loa (eye worm) hypothetical protein 0.016 0.3822 0.3822
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0156 0.0232
Brugia malayi latrophilin 2 splice variant baaae 0.011 0.234 0.2703
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0052 0.0662 1
Echinococcus granulosus GPCR family 2 0.0051 0.062 0.062
Schistosoma mansoni hypothetical protein 0.0372 1 1
Loa Loa (eye worm) hypothetical protein 0.011 0.234 0.234
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0052 0.0662 0.0765
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0051 0.062 0.062
Schistosoma mansoni hypothetical protein 0.0051 0.062 0.062
Trypanosoma brucei nucleobase/nucleoside transporter 8.1 0.0057 0.0792 0.1181
Trypanosoma cruzi nucleoside transporter-like, putative 0.0057 0.0792 0.1181
Schistosoma mansoni tar DNA-binding protein 0.0141 0.3261 0.3261
Entamoeba histolytica nucleoside transporter, putative 0.0057 0.0792 0.0914
Trypanosoma brucei adenosine transporter, putative 0.0057 0.0792 0.1181
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog 0.0326 0.8658 1
Schistosoma mansoni hypothetical protein 0.0349 0.9328 0.9328
Leishmania major adenosine kinase, putative 0.0259 0.67 1
Trypanosoma cruzi adenosine kinase, putative 0.0259 0.67 1
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0662 0.0765
Loa Loa (eye worm) hypothetical protein 0.0326 0.8658 0.8658
Brugia malayi Calcitonin receptor-like protein seb-1 0.016 0.3822 0.4415
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0052 0.0662 0.0765
Loa Loa (eye worm) hypothetical protein 0.0052 0.0662 0.0662
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0052 0.0662 0.0989
Loa Loa (eye worm) hypothetical protein 0.0052 0.0662 0.0662
Toxoplasma gondii ATPase, AAA family protein 0.0052 0.0662 0.0989
Brugia malayi Adenosine kinase-like 0.0259 0.67 0.7738
Brugia malayi RNA binding protein 0.0141 0.3261 0.3767
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.0057 0.0792 0.0914
Trypanosoma brucei adenosine transporter, putative 0.0057 0.0792 0.1181
Chlamydia trachomatis DNA ligase 0.0052 0.0662 0.5
Schistosoma mansoni tar DNA-binding protein 0.0141 0.3261 0.3261

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.92 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) 7.3078 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.9349 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 100 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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