Detailed information for compound 2204550

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 2111.85 | Formula: C95H129N19O32S2
  • H donors: 24 H acceptors: 32 LogP: -2.69 Rotable bonds: 80
    Rule of 5 violations (Lipinski): 3
  • SMILES: CSCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)CO)Cc1ccc(cc1)O)CC(=O)O)CCC(=O)O)CC(=O)O)C)NC(=O)CCCCCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)C)CCSC)CC(=O)O)Cc1ccccc1)CC(=O)O)CC(=O)O
  • InChi: InChI=1S/C95H129N19O32S2/c1-50(81(132)103-65(44-76(123)124)88(139)102-58(30-31-74(119)120)83(134)108-66(45-77(125)126)89(140)105-62(41-53-26-28-55(117)29-27-53)86(137)111-69(49-115)94(145)112-35-15-22-70(112)80(96)131)99-92(143)71-23-16-36-113(71)95(146)72-24-17-37-114(72)93(144)60(33-39-148-4)101-73(118)25-11-6-5-7-14-34-97-82(133)64(43-75(121)122)107-91(142)68(47-79(129)130)109-85(136)61(40-52-18-9-8-10-19-52)104-90(141)67(46-78(127)128)110-87(138)63(42-54-48-98-57-21-13-12-20-56(54)57)106-84(135)59(32-38-147-3)100-51(2)116/h8-10,12-13,18-21,26-29,48,50,58-72,98,115,117H,5-7,11,14-17,22-25,30-47,49H2,1-4H3,(H2,96,131)(H,97,133)(H,99,143)(H,100,116)(H,101,118)(H,102,139)(H,103,132)(H,104,141)(H,105,140)(H,106,135)(H,107,142)(H,108,134)(H,109,136)(H,110,138)(H,111,137)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)/t50-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1
  • InChiKey: IWNDNZIEJVESKW-PSIGXANISA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chemokine (C-X-C motif) ligand 8 No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum LCCL domain-containing protein chemokine (C-X-C motif) ligand 8 99 aa 80 aa 25.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi polyprenyl synthase, putative 0.0295 0.2439 0.2371
Echinococcus granulosus Glutaredoxin protein 5 0.0021 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0017 0.0036 0.0036
Toxoplasma gondii AGC kinase 0.0034 0.0183 0.0059
Trichomonas vaginalis casein kinase II beta chain, putative 0.0079 0.0568 0.0568
Leishmania major solanesyl-diphosphate synthase, putative 0.0295 0.2439 0.1984
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0079 0.0568 0.0483
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.1169 1 1
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0295 0.2439 0.5
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0079 0.0568 0.0483
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0023 0.009 0.009
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0516 0.4349 0.4234
Echinococcus multilocularis roundabout 2 0.0047 0.0292 0.0292
Brugia malayi Kinesin motor domain containing protein 0.0027 0.0124 0.0124
Plasmodium falciparum casein kinase II beta chain 0.0079 0.0568 0.0483
Echinococcus multilocularis Immunoglobulin 0.003 0.0143 0.0143
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0295 0.2439 0.2439
Trichomonas vaginalis casein kinase II beta chain, putative 0.0023 0.0086 0.0086
Entamoeba histolytica protein kinase domain containing protein 0.0289 0.2387 0.5487
Echinococcus granulosus peroxidasin 0.0017 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0017 0.0036 0.0036
Trichomonas vaginalis protein kinase ck2-beta, putative 0.0023 0.0086 0.0086
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.0295 0.2439 0.2439
Loa Loa (eye worm) hypothetical protein 0.0017 0.0036 0.0036
Loa Loa (eye worm) kinesin-like protein KLP2 0.0027 0.0124 0.0124
Brugia malayi p70 ribosomal S6 kinase beta 0.0034 0.0183 0.0183
Brugia malayi Protein kinase domain containing protein 0.0036 0.0201 0.0201
Loa Loa (eye worm) hypothetical protein 0.0047 0.0292 0.0292
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0036 0.0036
Brugia malayi Prion-like- 0.0017 0.0036 0.0036
Entamoeba histolytica PH domain containing protein kinase, putative 0.0025 0.0108 0.0248
Trichomonas vaginalis casein kinase II beta chain, putative 0.0079 0.0568 0.0568
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0021 0.007 0.007
Echinococcus granulosus serine/threonine protein kinase 0.0025 0.0108 0.0108
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0201 0.0201
Echinococcus granulosus twitchin 0.0039 0.0228 0.0228
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0079 0.0568 0.1424
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0036 0.0036
Echinococcus multilocularis lachesin 0.0017 0.0036 0.0036
Schistosoma mansoni septate junction protein 0.0017 0.0036 0.0036
Schistosoma mansoni cell adhesion molecule 0.0017 0.0036 0.0036
Schistosoma mansoni casein kinase II beta subunit 0.0079 0.0568 0.0568
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0295 0.2439 0.5608
Giardia lamblia Kinase, AGC PKA 0.0023 0.009 0.0003
Trichomonas vaginalis protein kinase ck2-beta, putative 0.0023 0.0086 0.0086
Echinococcus granulosus neuroglian 0.0037 0.0209 0.0209
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0079 0.0568 0.1305
Echinococcus granulosus roundabout 2 0.0017 0.0036 0.0036
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0295 0.2439 0.2371
Trichomonas vaginalis CMGC family protein kinase 0.0289 0.2387 0.2387
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0034 0.0183 0.0183
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0516 0.4349 0.4298
Trypanosoma cruzi polyprenyl synthase, putative 0.0295 0.2439 0.2371
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0295 0.2439 0.2439
Loa Loa (eye worm) hypothetical protein 0.0017 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0047 0.0292 0.0292
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.1169 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0036 0.0036
Brugia malayi Immunoglobulin I-set domain containing protein 0.048 0.4043 0.4043
Loa Loa (eye worm) hypothetical protein 0.0017 0.0036 0.0036
Giardia lamblia Kinase, CMGC CK2 0.0289 0.2387 0.232
Treponema pallidum octaprenyl-diphosphate synthase 0.0295 0.2439 0.5
Schistosoma mansoni tyrosine kinase 0.002 0.006 0.006
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0017 0.0036 0.0036
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0023 0.0086 0.0198
Loa Loa (eye worm) hypothetical protein 0.003 0.0143 0.0143
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.0289 0.2387 0.2387
Echinococcus granulosus kinesin family 1 0.021 0.1708 0.1708
Echinococcus multilocularis casein kinase ii subunit alpha 0.0289 0.2387 0.2387
Toxoplasma gondii casein kinase ii regulatory subunit protein 0.0079 0.0568 0.0449
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0201 0.0201
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0079 0.0568 0.1305
Schistosoma mansoni cell adhesion molecule 0.0039 0.0227 0.0227
Trypanosoma cruzi Protein kinase B 0.0025 0.0108 0.0018
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0295 0.2439 0.5608
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0295 0.2439 0.5
Echinococcus granulosus lachesin 0.0017 0.0036 0.0036
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.0295 0.2439 0.2439
Trichomonas vaginalis casein kinase II beta chain, putative 0.0079 0.0568 0.0568
Giardia lamblia Kinesin-5 0.0027 0.0124 0.0038
Brugia malayi casein kinase II, putaitve 0.0023 0.0086 0.0086
Entamoeba histolytica protein kinase, putative 0.0036 0.0201 0.0462
Loa Loa (eye worm) hypothetical protein 0.003 0.0143 0.0143
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0017 0.0036 0.0036
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0201 0.0201
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0295 0.2439 0.2371
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0036 0.0036
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0295 0.2439 0.2439
Trichomonas vaginalis casein kinase II beta chain, putative 0.0079 0.0568 0.0568
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.1169 1 1
Echinococcus granulosus defective proboscis extension response 0.003 0.0143 0.0143
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.1169 1 1
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0017 0.0036 0.0036
Echinococcus granulosus Immunoglobulin 0.003 0.0143 0.0143
Onchocerca volvulus Tyrosine kinase homolog 0.0449 0.3769 1
Schistosoma mansoni cell adhesion molecule 0.0017 0.0036 0.0036
Brugia malayi Peroxidasin 0.0017 0.0036 0.0036
Trichomonas vaginalis casein kinase II beta chain, putative 0.0079 0.0568 0.0568
Schistosoma mansoni glutathione synthetase 0.0295 0.2439 0.2439
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0036 0.0036
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0201 0.0201
Loa Loa (eye worm) hypothetical protein 0.003 0.0143 0.0143
Trichomonas vaginalis casein kinase II beta chain, putative 0.0023 0.0086 0.0086
Plasmodium vivax kinesin-5 0.0027 0.0124 0.0035
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0021 0.007 0.007
Trichomonas vaginalis casein kinase II beta chain, putative 0.0079 0.0568 0.0568
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.1169 1 1
Schistosoma mansoni cell adhesion molecule 0.0017 0.0036 0.0036
Schistosoma mansoni roundabout 0.0017 0.0036 0.0036
Schistosoma mansoni serine/threonine-protein kinase 0.0025 0.0108 0.0108
Echinococcus granulosus roundabout 2 0.0047 0.0292 0.0292
Entamoeba histolytica protein kinase, putative 0.0036 0.0201 0.0462
Plasmodium vivax casein kinase II beta chain, putative 0.0079 0.0568 0.0483
Schistosoma mansoni Neurotrimin precursor (hNT) 0.003 0.0143 0.0143
Plasmodium falciparum casein kinase II beta chain 0.0079 0.0568 0.0483
Echinococcus multilocularis roundabout 2 0.0017 0.0036 0.0036
Echinococcus granulosus nervana 2 0.0021 0.007 0.007
Brugia malayi Immunoglobulin I-set domain containing protein 0.003 0.0143 0.0143
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0017 0.0036 0.0036
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0025 0.0108 0.0018
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0017 0.0036 0.0036
Loa Loa (eye worm) TK/KIN16 protein kinase 0.048 0.4043 0.4043
Leishmania major farnesyl pyrophosphate synthase 0.1169 1 1
Entamoeba histolytica casein kinase, putative 0.0289 0.2387 0.5487
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0036 0.0036
Brugia malayi Casein kinase II, alpha chain 0.0289 0.2387 0.2387
Entamoeba histolytica protein kinase, putative 0.0034 0.0183 0.042
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0079 0.0568 0.1424
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0017 0.0036 0.0036
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.0295 0.2439 0.5608
Echinococcus granulosus nervana 2 0.0021 0.007 0.007
Plasmodium falciparum casein kinase 2, alpha subunit 0.0289 0.2387 0.2318
Schistosoma mansoni neuroglian 0.0017 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.003 0.0143 0.0143
Echinococcus granulosus tyrosine protein kinase otk 0.0017 0.0036 0.0036
Plasmodium falciparum kinesin-5 0.0027 0.0124 0.0035
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0017 0.0036 0.0036
Loa Loa (eye worm) polyprenyl synthetase 0.0295 0.2439 0.2439
Echinococcus granulosus neuroglian 0.0017 0.0036 0.0036
Onchocerca volvulus 0.0438 0.3681 0.9763
Trypanosoma brucei solanesyl-diphosphate synthase, putative 0.0295 0.2439 0.2284
Trichomonas vaginalis casein kinase II beta chain, putative 0.0023 0.0086 0.0086
Entamoeba histolytica kinesin, putative 0.0027 0.0124 0.0285
Echinococcus multilocularis Immunoglobulin 0.003 0.0143 0.0143
Echinococcus multilocularis peroxidasin 0.0017 0.0036 0.0036
Echinococcus granulosus contactin 0.0017 0.0036 0.0036
Echinococcus multilocularis neuroglian 0.0017 0.0036 0.0036
Trichomonas vaginalis conserved hypothetical protein 0.0516 0.4349 0.4349
Echinococcus granulosus casein kinase ii subunit alpha 0.0289 0.2387 0.2387
Echinococcus granulosus serine threonine protein kinase nrc 0.0023 0.009 0.009
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.0295 0.2439 0.2439
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0295 0.2439 0.2439
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0516 0.4349 0.4349
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0036 0.0036
Trypanosoma brucei Casein kinase II subunit beta, putative 0.0079 0.0568 0.0374
Schistosoma mansoni kinesin eg-5 0.0027 0.0124 0.0124
Trichomonas vaginalis casein kinase II beta chain, putative 0.0079 0.0568 0.0568
Plasmodium vivax casein kinase II beta chain, putative 0.0079 0.0568 0.0483
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.1169 1 1
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0295 0.2439 0.2439
Trichomonas vaginalis AGC family protein kinase 0.0015 0.0018 0.0018
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.1169 1 1
Echinococcus multilocularis nervana 2 0.0021 0.007 0.007
Echinococcus granulosus roundabout 2 0.0017 0.0036 0.0036
Trichomonas vaginalis CMGC family protein kinase 0.0289 0.2387 0.2387
Echinococcus multilocularis neuroglian 0.0037 0.0209 0.0209
Trichomonas vaginalis CMGC family protein kinase 0.0289 0.2387 0.2387
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.1169 1 1
Brugia malayi hypothetical protein 0.003 0.0143 0.0143
Echinococcus multilocularis Glutaredoxin protein 5 0.0021 0.007 0.007
Entamoeba histolytica PH domain containing protein kinase, putative 0.0025 0.0108 0.0248
Trichomonas vaginalis casein kinase II beta chain, putative 0.0079 0.0568 0.0568
Loa Loa (eye worm) polyprenyl synthetase 0.1169 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0023 0.0086 0.0086
Brugia malayi Csnk2b protein 0.0079 0.0568 0.0568
Echinococcus multilocularis kinesin family 1 0.021 0.1708 0.1708
Trichomonas vaginalis casein kinase II beta chain, putative 0.0079 0.0568 0.0568
Trichomonas vaginalis casein kinase II beta chain, putative 0.0079 0.0568 0.0568
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0201 0.0201
Trichomonas vaginalis casein kinase II beta chain, putative 0.0079 0.0568 0.0568
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0019 0.0055 0.0055
Schistosoma mansoni hypothetical protein 0.0183 0.1471 0.1471
Entamoeba histolytica protein kinase 2, putative 0.0023 0.009 0.0206
Echinococcus multilocularis rac serine:threonine kinase 0.0025 0.0108 0.0108
Loa Loa (eye worm) hypothetical protein 0.0039 0.0227 0.0227
Toxoplasma gondii cytochrome p450 superfamily protein 0.0775 0.6597 0.6555
Schistosoma mansoni titin 0.0017 0.0036 0.0036
Trichomonas vaginalis casein kinase II beta chain, putative 0.0023 0.0086 0.0086
Schistosoma mansoni nephrin 0.0037 0.0209 0.0209
Echinococcus multilocularis roundabout 2 0.0017 0.0036 0.0036
Plasmodium vivax octaprenyl pyrophosphate synthase, putative 0.0295 0.2439 0.2371
Trichomonas vaginalis casein kinase II beta chain, putative 0.0023 0.0086 0.0086
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.1169 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0023 0.0086 0.0086
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0023 0.009 0.009
Loa Loa (eye worm) Csnk2b protein 0.0079 0.0568 0.0568
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0079 0.0568 0.1305
Plasmodium vivax unspecified product 0.0289 0.2387 0.2318
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0516 0.4349 0.4009
Schistosoma mansoni nephrin 0.0017 0.0036 0.0036
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0516 0.4349 0.4009
Trypanosoma cruzi casein kinase II, putative 0.0289 0.2387 0.2318
Trichomonas vaginalis CMGC family protein kinase 0.0289 0.2387 0.2387
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.0289 0.2387 0.2318
Trypanosoma brucei Casein kinase II 0.0289 0.2387 0.223
Schistosoma mansoni farnesyl pyrophosphate synthase 0.1169 1 1
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.003 0.0143 0.0143
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0201 0.0201
Trichomonas vaginalis casein kinase II beta chain, putative 0.0079 0.0568 0.0568
Loa Loa (eye worm) hypothetical protein 0.0017 0.0036 0.0036
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0017 0.0036 0.0036
Trichomonas vaginalis casein kinase II beta chain, putative 0.0079 0.0568 0.0568
Echinococcus multilocularis basement membrane specific heparan sulfate 0.003 0.0143 0.0143
Trichomonas vaginalis casein kinase II beta chain, putative 0.0079 0.0568 0.0568
Toxoplasma gondii ck2 beta subunit 0.0079 0.0568 0.0449
Loa Loa (eye worm) casein kinase II 0.0023 0.0086 0.0086
Trypanosoma brucei farnesyl pyrophosphate synthase 0.1169 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0289 0.2387 0.2387
Loa Loa (eye worm) AGC/AKT protein kinase 0.0036 0.0201 0.0201
Plasmodium falciparum octaprenyl pyrophosphate synthase 0.0295 0.2439 0.2371
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0036 0.0036
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.1169 1 1
Echinococcus multilocularis tyrosine protein kinase otk 0.0017 0.0036 0.0036
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0295 0.2439 0.2344
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0516 0.4349 0.4298
Trichomonas vaginalis casein kinase II beta chain, putative 0.0023 0.0086 0.0086
Trichomonas vaginalis AGC family protein kinase 0.0036 0.0201 0.0201
Echinococcus granulosus farnesyl pyrophosphate synthase 0.1169 1 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0017 0.0036 0.0036
Echinococcus multilocularis nervana 2 0.0021 0.007 0.007
Entamoeba histolytica hypothetical protein, conserved 0.0516 0.4349 1
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.1169 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0289 0.2387 0.2387
Trypanosoma cruzi solanesyl-diphosphate synthase 0.0295 0.2439 0.2371
Giardia lamblia Rrm3p helicase 0.0516 0.4349 0.43
Echinococcus multilocularis hemicentin 1 0.0017 0.0036 0.0036
Trichomonas vaginalis CMGC family protein kinase 0.0289 0.2387 0.2387
Brugia malayi Fibronectin type III domain containing protein 0.003 0.0143 0.0143
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0295 0.2439 0.5
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0295 0.2439 0.5
Schistosoma mansoni septate junction protein 0.0017 0.0036 0.0036
Echinococcus granulosus casein kinase ii subunit beta 0.0079 0.0568 0.0568
Entamoeba histolytica DNA repair and recombination protein, putative 0.0516 0.4349 1
Schistosoma mansoni serine/threonine-protein kinase 0.0025 0.0108 0.0108
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0017 0.0036 0.0036
Leishmania major casein kinase II, putative 0.0289 0.2387 0.1928
Schistosoma mansoni vesicular amine transporter 0.003 0.0143 0.0143
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.1169 1 1
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0516 0.4349 0.4349
Echinococcus multilocularis hemicentin 1 0.0017 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.003 0.0143 0.0143
Trichomonas vaginalis casein kinase II beta chain, putative 0.0023 0.0086 0.0086
Echinococcus multilocularis casein kinase ii subunit beta 0.0079 0.0568 0.0568
Schistosoma mansoni hypothetical protein 0.0516 0.4349 0.4349
Leishmania major polyprenyl synthase, putative 0.0295 0.2439 0.1984
Trichomonas vaginalis casein kinase II beta chain, putative 0.0023 0.0086 0.0086
Schistosoma mansoni trans-prenyltransferase 0.0295 0.2439 0.2439
Loa Loa (eye worm) hypothetical protein 0.003 0.0143 0.0143
Schistosoma mansoni protein kinase 0.0289 0.2387 0.2387
Brugia malayi Polyprenyl synthetase family protein 0.0295 0.2439 0.2439
Trichomonas vaginalis casein kinase II beta chain, putative 0.0079 0.0568 0.0568
Trichomonas vaginalis casein kinase II beta chain, putative 0.0023 0.0086 0.0086
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0039 0.0227 0.0227
Trichomonas vaginalis casein kinase II beta chain, putative 0.0023 0.0086 0.0086
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0017 0.0036 0.0036
Echinococcus granulosus hemicentin 1 0.0017 0.0036 0.0036
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0023 0.0086 0.0198
Giardia lamblia Farnesyl diphosphate synthase 0.1169 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0036 0.0036
Toxoplasma gondii CMGC kinase, CK2 family 0.0289 0.2387 0.2291
Trichomonas vaginalis casein kinase II beta chain, putative 0.0023 0.0086 0.0086
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0516 0.4349 0.4298
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0295 0.2439 0.2439
Giardia lamblia Casein kinase II beta chain 0.0079 0.0568 0.0486
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0516 0.4349 0.4234
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0017 0.0036 0.0036

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 12 uM Inhibition of Interleukin-8 (IL-8) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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