Detailed information for compound 1015590

Basic information

Technical information
  • TDR Targets ID: 1015590
  • Name: (3S,5S,6S,8R,9S,10R,13R,14S,15R,17R)-17-[(E,2 R)-6-hydroxy-5-methylhex-3-en-2-yl]-10,13-dim ethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetra decahydro-1H-cyclopenta[a]phenanthrene-3,6,15 -triol
  • MW: 420.625 | Formula: C26H44O4
  • H donors: 4 H acceptors: 4 LogP: 4.13 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC(/C=C/[C@H]([C@H]1C[C@H]([C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@@H]([C@@H]2[C@]1(C)CC[C@@H](C2)O)O)O)C)C
  • InChi: 1S/C26H44O4/c1-15(14-27)5-6-16(2)20-13-23(30)24-18-12-22(29)21-11-17(28)7-9-25(21,3)19(18)8-10-26(20,24)4/h5-6,15-24,27-30H,7-14H2,1-4H3/b6-5+/t15?,16-,17+,18-,19+,20-,21-,22+,23-,24-,25-,26-/m1/s1
  • InChiKey: OJUYKMCASYNMLF-ODJGDKCGSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (3S,5S,6S,8R,9S,10R,13R,14S,15R,17R)-17-[(E,1R)-5-hydroxy-1,4-dimethyl-pent-2-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15-triol
  • (3S,5S,6S,8R,9S,10R,13R,14S,15R,17R)-17-[(E,1R)-5-hydroxy-1,4-dimethylpent-2-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15-triol
  • (3S,5S,6S,8R,9S,10R,13R,14S,15R,17R)-17-[(E,2R)-6-hydroxy-5-methyl-hex-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15-triol

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0073 0.1388 0.2692
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0469 0.1106
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0032 0.0469 0.1211
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0086
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0484 0.0547
Brugia malayi Cam kinase protein 1 0.0033 0.0484 0.0826
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0033 0.0484 0.0905
Schistosoma mansoni glucose transport protein 0.0108 0.216 0.5965
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0108 0.216 0.2836
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0865 0.2245
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.002 0.0202 0.0236
Schistosoma mansoni glucose transport protein 0.0108 0.216 0.5965
Plasmodium falciparum calcium-dependent protein kinase 1 0.0033 0.0484 0.0404
Loa Loa (eye worm) hypothetical protein 0.0033 0.0484 0.0905
Brugia malayi hypothetical protein 0.0231 0.4928 1
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0174 0.3649 0.3595
Toxoplasma gondii protein kinase, putative 0.0305 0.6571 1
Leishmania major glucose transporter, lmgt3 0.0033 0.0493 0.8107
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.6152 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0108 0.216 0.2836
Loa Loa (eye worm) hypothetical protein 0.0231 0.4928 1
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0038 0.0589 1
Schistosoma mansoni ferritin 0.0018 0.0138 0.0155
Entamoeba histolytica hypothetical protein 0.0073 0.1388 0.1882
Mycobacterium ulcerans integral membrane transport protein 0.0015 0.0084 0.0291
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0032 0.0469 0.0526
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0484 0.0547
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0038 0.0589 1
Entamoeba histolytica hypothetical protein 0.0073 0.1388 0.1882
Brugia malayi Probable ClpP-like protease 0.0083 0.1603 0.3136
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0033 0.0484 0.0617
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0493 0.0675
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.014 0.2874 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0775 0.1987
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0493 0.8107
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0108 0.216 0.2836
Plasmodium vivax hexose transporter 0.0108 0.216 0.2094
Plasmodium falciparum proline--tRNA ligase 0.0038 0.0589 0.051
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0083 0.1603 0.1532
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0775 0.1987
Onchocerca volvulus 0.005 0.0865 1
Schistosoma mansoni survival motor neuron protein 0.0047 0.0801 0.2061
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0493 0.8107
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0083 0.1603 0.2342
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.8107
Echinococcus granulosus ferritin 0.0018 0.0138 0.0074
Plasmodium falciparum mitogen-activated protein kinase 2 0.0174 0.3649 0.3595
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0033 0.0484 0.0404
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0015 0.0084 0.0291
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.2451 0.493
Giardia lamblia Prolyl-tRNA synthetase 0.0032 0.0469 0.0635
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0775 0.0945
Brugia malayi MH2 domain containing protein 0.0121 0.2451 0.4886
Schistosoma mansoni ferritin 0.0018 0.0138 0.0155
Schistosoma mansoni protein kinase 0.0033 0.0484 0.1149
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.2451 0.493
Trichomonas vaginalis glucose transporter, putative 0.0033 0.0493 0.0675
Schistosoma mansoni apoferritin-2 0.0018 0.0138 0.0155
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0024 0.0283 0.0329
Trypanosoma cruzi hexose transporter 0.0033 0.0493 0.8107
Echinococcus multilocularis calcium dependent protein kinase 0.0031 0.0438 0.0484
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0033 0.0484 0.7919
Loa Loa (eye worm) hypothetical protein 0.0083 0.1603 0.3195
Schistosoma mansoni ferritin 0.0018 0.0138 0.0155
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0033 0.0484 0.0547
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0286 0.6152 1
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0033 0.0484 0.0404
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.4928 0.6617
Loa Loa (eye worm) sugar transporter 0.0015 0.0084 0.0086
Echinococcus granulosus lysyl tRNA synthetase 0.0024 0.0283 0.0273
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.6152 1
Echinococcus granulosus tumor protein p63 0.0342 0.7405 1
Plasmodium falciparum hexose transporter 0.0108 0.216 0.2094
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0083 0.1603 0.1532
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0029 0.0384 0.0303
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0108 0.216 0.2836
Plasmodium falciparum lysine--tRNA ligase 0.0024 0.0283 0.0201
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.014 0.2874 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.1388 0.1781
Plasmodium falciparum protein kinase 7 0.0305 0.6571 0.6542
Plasmodium vivax lysine--tRNA ligase, putative 0.0024 0.0283 0.0201
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0775 0.0945
Echinococcus granulosus calcium dependent protein kinase 0.0031 0.0438 0.0484
Toxoplasma gondii facilitative glucose transporter GT1 0.0108 0.216 0.3201
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0083 0.1603 0.5355
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.6152 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.6152 1
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.4928 0.6617
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0283 0.0986
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0108 0.216 0.2836
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0493 0.8107
Leishmania major glucose transporter/membrane transporter D2, putative 0.0033 0.0493 0.8107
Schistosoma mansoni hypothetical protein 0.0171 0.3565 1
Trypanosoma brucei glucose transporter 2A 0.0033 0.0493 0.8107
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0086
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0086
Mycobacterium ulcerans bacterioferritin BfrA 0.0018 0.0138 0.0479
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0033 0.0484 0.0617
Brugia malayi lysyl-tRNA synthetase 0.0024 0.0283 0.0412
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0493 0.0675
Entamoeba histolytica hypothetical protein 0.0073 0.1388 0.1882
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.8107
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0018 0.0138 0.0193
Loa Loa (eye worm) sugar transporter 0.0108 0.216 0.4336
Echinococcus multilocularis tumor protein p63 0.0342 0.7405 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0083 0.1603 0.5577
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.1388 0.1781
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0286 0.6152 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0054 0.0962 0.3014
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0086
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0484 0.0547
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0083 0.1603 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0775 0.1502
Entamoeba histolytica hypothetical protein 0.0073 0.1388 0.1882
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.8107
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0083 0.1603 0.5577
Echinococcus multilocularis ferritin 0.0018 0.0138 0.0074
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0283 0.0573
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.6152 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0469 0.0875
Plasmodium vivax calcium-dependent protein kinase, putative 0.0033 0.0484 0.0404
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0038 0.0589 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0775 0.1428
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0018 0.0138 0.0193
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0775 0.0945
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0032 0.0469 0.0316
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0484 0.0547
Onchocerca volvulus 0.0047 0.0801 0.9182
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0801 0.1481
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0469 0.1106
Plasmodium falciparum calcium-dependent protein kinase 4 0.0033 0.0484 0.0404
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0493 0.0675
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.8107
Echinococcus granulosus peptidase Clp S14 family 0.0054 0.0962 0.12
Toxoplasma gondii hypothetical protein 0.0029 0.0384 0.0463
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0086
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0038 0.0589 1
Trichomonas vaginalis ferritin, putative 0.0018 0.0138 0.0089
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0086
Treponema pallidum bacterioferrin (TpF1) 0.0018 0.0138 0.0224
Echinococcus multilocularis geminin 0.0171 0.3565 0.4755
Leishmania major glucose transporter, lmgt1 0.0033 0.0493 0.8107
Leishmania major lysyl-tRNA synthetase, putative 0.0024 0.0283 0.395
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0775 0.1987
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0493 0.0675
Schistosoma mansoni protein kinase 0.0033 0.0484 0.1149
Schistosoma mansoni hypothetical protein 0.0171 0.3565 1
Schistosoma mansoni protein kinase 0.0033 0.0484 0.1149
Schistosoma mansoni hypothetical protein 0.0108 0.216 0.5965
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.8107
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0038 0.0589 1
Schistosoma mansoni glucose transport protein 0.0108 0.216 0.5965
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0083 0.1603 0.2075
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0029 0.0384 0.0902
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0033 0.0484 0.0617
Echinococcus granulosus expressed protein 0.0018 0.0138 0.0074
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0024 0.0283 0.395
Loa Loa (eye worm) hypothetical protein 0.0024 0.0283 0.0495
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0086
Leishmania major protein kinase, putative 0.0033 0.0484 0.7919
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0484 0.0547
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0108 0.216 0.2836
Giardia lamblia Lysyl-tRNA synthetase 0.0024 0.0283 0.0329
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0086
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0033 0.0484 0.0826
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0083 0.1603 1
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.8107
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0084 0.0086
Trichomonas vaginalis glucose transporter, putative 0.0033 0.0493 0.0675
Schistosoma mansoni hypothetical protein 0.0047 0.0801 0.2061
Entamoeba histolytica protein kinase, putative 0.0033 0.0484 0.0342
Echinococcus multilocularis peptidase Clp (S14 family) 0.0054 0.0962 0.12
Giardia lamblia Fructose-bisphosphate aldolase 0.0286 0.6152 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0865 0.1686
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0029 0.0384 0.0625
Plasmodium falciparum calcium-dependent protein kinase 2 0.0033 0.0484 0.0404
Schistosoma mansoni ferritin light chain 0.0018 0.0138 0.0155
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.0484 0.1149
Leishmania major glucose transporter, lmgt2 0.0033 0.0493 0.8107
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0083 0.1603 0.2075
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0283 0.0986
Trypanosoma cruzi hexose transporter, putative 0.0018 0.0154 0.1383
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0032 0.0469 0.0795
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0283 0.0573
Plasmodium vivax proline--tRNA ligase, putative 0.0038 0.0589 0.051
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0083 0.1603 0.2606
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0086
Echinococcus multilocularis lysyl tRNA synthetase 0.0024 0.0283 0.0273
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.1388 0.3746
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0084 0.0086
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.6152 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.014 0.2874 1
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0024 0.0283 0.395
Echinococcus multilocularis expressed protein 0.0018 0.0138 0.0074
Loa Loa (eye worm) hypothetical protein 0.0032 0.0469 0.0875
Plasmodium vivax CDK-related protein kinase 6, putative 0.0458 1 1
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0033 0.0484 0.0905
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0086
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0086
Trichomonas vaginalis conserved hypothetical protein 0.0108 0.216 0.3422
Toxoplasma gondii lysine-tRNA ligase 0.0024 0.0283 0.0308
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0493 0.0675
Loa Loa (eye worm) hypothetical protein 0.0026 0.0333 0.0596
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0083 0.1603 1
Chlamydia trachomatis lysine--tRNA ligase 0.0024 0.0283 0.1768
Echinococcus granulosus geminin 0.0171 0.3565 0.4755
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0108 0.216 0.2836
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0018 0.0138 0.0354
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.6152 1
Mycobacterium ulcerans sugar transporter 0.0015 0.0084 0.0291
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0015 0.0084 0.0291
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0021 0.0217 0.0219
Trichomonas vaginalis CAMK family protein kinase 0.0033 0.0484 0.0659
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0484 0.0547
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0038 0.0589 0.0779
Entamoeba histolytica protein kinase, putative 0.0033 0.0484 0.0342
Echinococcus multilocularis General substrate transporter 0.0093 0.1821 0.2372
Mycobacterium ulcerans bacterioferritin BfrB 0.0018 0.0138 0.0479
Schistosoma mansoni ferritin light chain 0.0018 0.0138 0.0155
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0086
Plasmodium falciparum calcium-dependent protein kinase 3 0.0033 0.0484 0.0404
Plasmodium falciparum calcium-dependent protein kinase 5 0.0033 0.0484 0.0404
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0493 0.8107
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0024 0.0283 0.0533
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0032 0.0469 0.0526
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.002 0.0202 0.0424
Schistosoma mansoni apoferritin-2 0.0018 0.0138 0.0155
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.6152 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0086
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0083 0.1603 0.2342
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0032 0.0469 0.0795
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0033 0.0484 0.0404
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0029 0.0384 0.0303
Trypanosoma brucei glucose transporter 1E 0.0033 0.0493 0.8107
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0108 0.216 0.2836
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0484 0.0547
Schistosoma mansoni hypothetical protein 0.0073 0.1388 0.3746
Echinococcus granulosus General substrate transporter 0.0093 0.1821 0.2372
Brugia malayi Sugar transporter family protein 0.0108 0.216 0.4287
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0775 0.0945
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0054 0.0962 0.3149
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0174 0.3649 0.5495
Schistosoma mansoni peptidase Clp (S14 family) 0.0083 0.1603 0.4363
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0086
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0493 0.8107
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.8107
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0032 0.0469 0.0635
Trypanosoma brucei glucose transporter, putative 0.0033 0.0493 0.8107
Treponema pallidum fructose-bisphosphate aldolase 0.0286 0.6152 1
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0493 0.8107
Schistosoma mansoni ferritin 0.0018 0.0138 0.0155
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0054 0.0962 0.3149
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.002 0.0202 0.0424
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0086

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 6.4 ug ml-1 Cytotoxicity against human SK-MEL-2 cells ChEMBL. 12662097
ED50 (functional) = 7.1 ug ml-1 Cytotoxicity against human A549 cells ChEMBL. 12662097
ED50 (functional) = 8.6 ug ml-1 Cytotoxicity against human XF498 cells ChEMBL. 12662097
ED50 (functional) = 9.4 ug ml-1 Cytotoxicity against human SKOV3 cells ChEMBL. 12662097
ED50 (functional) = 10.6 ug ml-1 Cytotoxicity against human HCT15 cells ChEMBL. 12662097
MIC (functional) > 25 ug ml-1 Antimicrobial activity against Escherichia coli 078 isolate after 18 hrs ChEMBL. 12662097
MIC (functional) > 25 ug ml-1 Antimicrobial activity against Escherichia coli DC0 isolate after 18 hrs ChEMBL. 12662097
MIC (functional) > 25 ug ml-1 Antimicrobial activity against Escherichia coli DC2 isolate after 18 hrs ChEMBL. 12662097
MIC (functional) > 25 ug ml-1 Antimicrobial activity against Escherichia coli TEM isolate after 18 hrs ChEMBL. 12662097
MIC (functional) > 25 ug ml-1 Antimicrobial activity against Escherichia coli 1507E isolate after 18 hrs ChEMBL. 12662097

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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