Detailed information for compound 411116

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 796.302 | Formula: C51H93N3O3
  • H donors: 3 H acceptors: 1 LogP: 17 Rotable bonds: 45
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCCCC/C=C/CCCCCCCCOc1cc(ccc1OCCCCCCCC/C=C/CCCCCCCC)C(=O)NCCCCNCCCCN
  • InChi: 1S/C51H93N3O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-45-56-49-40-39-48(51(55)54-44-36-35-43-53-42-34-33-41-52)47-50(49)57-46-38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39-40,47,53H,3-16,21-38,41-46,52H2,1-2H3,(H,54,55)/b19-17+,20-18+
  • InChiKey: JHNQFABTXWMDOG-XPWSMXQVSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 Zinc metalloproteinase toh-2 precursor 0.0102 0.0783 0.1477
Schistosoma mansoni hypothetical protein 0.0344 0.3468 0.6636
Onchocerca volvulus 0.0073 0.0456 0.0818
Loa Loa (eye worm) DPY-31 protein 0.0102 0.0783 0.1031
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0044 0.0133 0.0133
Brugia malayi hypothetical protein 0.0102 0.0774 0.146
Loa Loa (eye worm) hypothetical protein 0.0508 0.53 0.6981
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0467 0.4847 0.6384
Leishmania major heat shock protein 83-1 0.0037 0.0059 0.027
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0095 0.07 0.8559
Brugia malayi hypoxia-induced factor 1 0.0305 0.3042 0.5738
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0076 0.0487 0.0487
Echinococcus multilocularis heat shock protein 90 0.0037 0.0059 0.0059
Onchocerca volvulus 0.0247 0.2389 0.4481
Mycobacterium ulcerans hypothetical protein 0.0102 0.0774 1
Loa Loa (eye worm) lectin C-type domain-containing protein 0.0102 0.0783 0.1031
Schistosoma mansoni endoplasmin 0.0037 0.0059 0.0112
Brugia malayi hypothetical protein 0.0479 0.498 0.9396
Brugia malayi MH2 domain containing protein 0.0242 0.2338 0.4411
Loa Loa (eye worm) hypothetical protein 0.0102 0.0783 0.1031
Echinococcus granulosus Niemann Pick C1 protein 0.0113 0.0901 0.1623
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0106 0.0818 1
Leishmania major heat shock protein 83-1 0.0037 0.0059 0.027
Schistosoma mansoni cercarial elastase (S01 family) 0.0102 0.0774 0.148
Leishmania major heat shock protein 83-1 0.0037 0.0059 0.027
Schistosoma mansoni hypothetical protein 0.0227 0.217 0.4153
Loa Loa (eye worm) hypothetical protein 0.0365 0.3708 0.4883
Plasmodium falciparum glutathione reductase 0.0042 0.0107 0.0447
Leishmania major hypothetical protein, conserved 0.0098 0.0729 0.3361
Schistosoma mansoni hypothetical protein 0.0102 0.0783 0.1498
Loa Loa (eye worm) hypothetical protein 0.0331 0.3327 0.4382
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0102 0.0783 0.3607
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.004 0.0092 0.0165
Leishmania major trypanothione reductase 0.0042 0.0107 0.0492
Brugia malayi GH02984p 0.0399 0.4083 0.7703
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0095 0.07 0.8559
Plasmodium vivax glutathione reductase, putative 0.0042 0.0107 0.0447
Loa Loa (eye worm) hypothetical protein 0.0102 0.0783 0.1031
Echinococcus granulosus neuropilin nrp and tolloid tll 0.0102 0.0783 0.141
Onchocerca volvulus 0.0508 0.53 1
Brugia malayi hypothetical protein 0.0247 0.2389 0.4507
Leishmania major heat shock protein 83-1 0.0037 0.0059 0.027
Onchocerca volvulus 0.0272 0.2669 0.5012
Schistosoma mansoni neuropilin (nrp) and tolloid (tll)-like 0.0102 0.0783 0.1498
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0025 0.0025
Trypanosoma brucei heat shock protein, putative 0.0037 0.0059 0.027
Onchocerca volvulus 0.0102 0.0774 0.142
Onchocerca volvulus 0.0247 0.2389 0.4481
Schistosoma mansoni single-minded 0.0099 0.0741 0.1419
Echinococcus multilocularis transcription factor Dp 1 0.0044 0.0131 0.0131
Echinococcus multilocularis neuropeptide s receptor 0.053 0.5549 0.5549
Schistosoma mansoni neuropilin (nrp) and tolloid (tll)-like 0.0102 0.0783 0.1498
Leishmania major heat shock protein 83-1 0.0037 0.0059 0.027
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0048 0.0183 0.0241
Plasmodium falciparum apical sushi protein 0.0247 0.2389 1
Echinococcus multilocularis cubilin 0.0102 0.0783 0.0783
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0025 0.0047
Brugia malayi Pre-SET motif family protein 0.0034 0.0025 0.0047
Brugia malayi Kringle domain containing protein 0.0098 0.0729 0.1376
Brugia malayi hypothetical protein 0.0247 0.2389 0.4507
Loa Loa (eye worm) hypothetical protein 0.0247 0.2389 0.3146
Leishmania major heat shock protein 83-1 0.0037 0.0059 0.027
Toxoplasma gondii calcium binding egf domain-containing protein 0.0365 0.3708 1
Onchocerca volvulus 0.0247 0.2389 0.4481
Brugia malayi Protein kinase domain containing protein 0.0098 0.0729 0.1376
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0098 0.0729 0.3053
Schistosoma mansoni endoplasmin 0.0037 0.0059 0.0112
Entamoeba histolytica hypothetical protein 0.0073 0.0455 0.1879
Echinococcus multilocularis geminin 0.0344 0.3468 0.3468
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0044 0.0133 0.024
Echinococcus granulosus solute carrier family 5 0.0044 0.0133 0.024
Trypanosoma cruzi heat shock protein 85, putative 0.0037 0.0059 0.027
Brugia malayi Trypsin family protein 0.0399 0.4086 0.771
Schistosoma mansoni hypothetical protein 0.0144 0.1251 0.2394
Schistosoma mansoni heat shock protein 0.0037 0.0059 0.0112
Loa Loa (eye worm) hypothetical protein 0.0247 0.2389 0.3146
Echinococcus granulosus sodium:glucose cotransporter 0.0044 0.0133 0.024
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0102 0.0783 0.3607
Trypanosoma brucei Heat shock protein 83, putative 0.0037 0.0059 0.027
Loa Loa (eye worm) hypothetical protein 0.0102 0.0783 0.1031
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0076 0.0487 0.2242
Schistosoma mansoni hypothetical protein 0.0098 0.0729 0.1396
Trypanosoma cruzi Heat shock protein 83, putative 0.0037 0.0059 0.027
Echinococcus multilocularis expressed conserved protein 0.0106 0.0825 0.0825
Brugia malayi hypothetical protein 0.0247 0.2389 0.4507
Onchocerca volvulus 0.0102 0.0774 0.142
Schistosoma mansoni survival motor neuron protein 0.0098 0.0732 0.1401
Schistosoma mansoni cercarial elastase (S01 family) 0.0102 0.0774 0.148
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0102 0.0774 0.146
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0025 0.0067
Onchocerca volvulus 0.0247 0.2389 0.4481
Brugia malayi Pre-SET motif family protein 0.0239 0.2301 0.4342
Echinococcus granulosus sodium:myo inositol cotransporter 0.0044 0.0133 0.024
Entamoeba histolytica hypothetical protein 0.0073 0.0455 0.1879
Onchocerca volvulus 0.0247 0.2389 0.4481
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0102 0.0774 0.148
Toxoplasma gondii heat shock protein HSP90 0.0037 0.0059 0.0158
Echinococcus granulosus laminin 0.0365 0.3708 0.6681
Onchocerca volvulus Arrow homolog 0.0365 0.3708 0.6981
Brugia malayi PAS domain containing protein 0.0099 0.0741 0.1399
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0106 0.0818 1
Trypanosoma brucei heat shock protein, putative 0.0037 0.0059 0.027
Onchocerca volvulus 0.0102 0.0774 0.142
Brugia malayi Niemann-Pick C1 protein precursor 0.0113 0.0901 0.17
Brugia malayi hypothetical protein 0.0508 0.53 1
Schistosoma mansoni hypothetical protein 0.0102 0.0783 0.1498
Toxoplasma gondii rhoptry neck protein RON1 0.0247 0.2389 0.6443
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0102 0.0774 0.148
Schistosoma mansoni hypothetical protein 0.0344 0.3468 0.6636
Echinococcus granulosus sterol regulatory element binding protein 0.0048 0.0183 0.033
Echinococcus granulosus survival motor neuron protein 1 0.0479 0.498 0.8975
Trypanosoma brucei heat shock protein 90, putative 0.0037 0.0059 0.027
Echinococcus multilocularis sterol regulatory element binding protein 0.0048 0.0183 0.0183
Brugia malayi astacin protease protein 30 0.0102 0.0783 0.1477
Onchocerca volvulus 0.0102 0.0783 0.1437
Schistosoma mansoni c4b-binding protein beta chain 0.0247 0.2389 0.4571
Brugia malayi hypothetical protein 0.0102 0.0783 0.1477
Loa Loa (eye worm) pax transcription factor protein 2 0.0488 0.5075 0.6685
Onchocerca volvulus 0.0399 0.4086 0.7699
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0025 0.0025
Echinococcus multilocularis transmembrane protease serine 3 0.0102 0.0774 0.0774
Loa Loa (eye worm) hypothetical protein 0.0399 0.4083 0.5377
Brugia malayi CUB domain containing protein 0.0102 0.0783 0.1477
Trypanosoma brucei heat shock protein, putative 0.0037 0.0059 0.027
Onchocerca volvulus 0.0098 0.0729 0.1336
Brugia malayi Trypsin family protein 0.0102 0.0774 0.146
Brugia malayi zinc metalloproteinase toh-2 precursor 0.0102 0.0783 0.1477
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.0455 0.0871
Loa Loa (eye worm) hypothetical protein 0.0247 0.2389 0.3146
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0227 0.217 1
Echinococcus granulosus c4b binding protein beta chain 0.0247 0.2389 0.4305
Echinococcus granulosus transcription factor Dp 1 0.0044 0.0131 0.0237
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0063 0.0349 0.0349
Loa Loa (eye worm) hypothetical protein 0.0399 0.4086 0.5382
Trypanosoma brucei trypanothione reductase 0.0042 0.0107 0.0492
Schistosoma mansoni thyroid hormone receptor 0.0174 0.1578 0.3019
Loa Loa (eye worm) hypothetical protein 0.0141 0.1208 0.1591
Onchocerca volvulus Huntingtin homolog 0.0141 0.1208 0.2243
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0076 0.0487 0.2242
Onchocerca volvulus 0.0247 0.2389 0.4481
Loa Loa (eye worm) hypothetical protein 0.0258 0.2517 0.3315
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0095 0.07 0.8559
Onchocerca volvulus 0.0247 0.2389 0.4481
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0044 0.0133 0.0359
Onchocerca volvulus 0.0247 0.2389 0.4481
Brugia malayi Thioredoxin reductase 0.0042 0.0107 0.0201
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0076 0.0487 0.0877
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0365 0.3708 0.6995
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0144 0.1251 0.1251
Loa Loa (eye worm) hypothetical protein 0.0365 0.3708 0.4883
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0025 0.0044
Brugia malayi CUB domain containing protein 0.0102 0.0783 0.1477
Echinococcus multilocularis cubilin 0.0102 0.0783 0.0783
Entamoeba histolytica hypothetical protein, conserved 0.0227 0.217 1
Echinococcus granulosus Mastin 0.0102 0.0774 0.1394
Trypanosoma cruzi heat shock protein 85, putative 0.0037 0.0059 0.027
Loa Loa (eye worm) hypothetical protein 0.0102 0.0774 0.1019
Brugia malayi hypothetical protein 0.0247 0.2389 0.4507
Loa Loa (eye worm) CUB domain-containing protein 0.0102 0.0783 0.1031
Echinococcus granulosus neuropeptide receptor A26 0.053 0.5549 1
Onchocerca volvulus Huntingtin homolog 0.0141 0.1208 0.2243
Echinococcus multilocularis solute carrier family 5 0.0044 0.0133 0.0133
Trypanosoma brucei heat shock protein, putative 0.0037 0.0059 0.027
Brugia malayi pregnancy-associated plasma protein-A 0.0247 0.2389 0.4507
Trichomonas vaginalis conserved hypothetical protein 0.0102 0.0783 0.2774
Loa Loa (eye worm) hypothetical protein 0.0102 0.0774 0.1019
Schistosoma mansoni hypothetical protein 0.0073 0.0455 0.0871
Trypanosoma brucei heat shock protein, putative 0.0037 0.0059 0.027
Loa Loa (eye worm) hypothetical protein 0.0102 0.0774 0.1019
Loa Loa (eye worm) hypothetical protein 0.0102 0.0783 0.1031
Onchocerca volvulus 0.0102 0.0774 0.142
Loa Loa (eye worm) hypothetical protein 0.0365 0.3708 0.4883
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0227 0.217 1
Onchocerca volvulus 0.0102 0.0774 0.142
Echinococcus multilocularis high affinity choline transporter 1 0.0399 0.4083 0.4083
Leishmania major heat shock protein 83-1 0.0037 0.0059 0.027
Loa Loa (eye worm) zinc metalloproteinase toh-2 0.0102 0.0783 0.1031
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0098 0.0732 0.1381
Brugia malayi CHE-14 protein 0.0048 0.0183 0.0345
Echinococcus multilocularis tissue type plasminogen activator 0.0098 0.0729 0.0729
Schistosoma mansoni cercarial elastase (S01 family) 0.0102 0.0774 0.148
Brugia malayi hypothetical protein 0.0247 0.2389 0.4507
Leishmania major heat shock protein 83-1 0.0037 0.0059 0.027
Brugia malayi hypothetical protein 0.0073 0.0455 0.0859
Brugia malayi hypothetical protein 0.0247 0.2389 0.4507
Brugia malayi heat shock protein 90 0.0037 0.0059 0.011
Brugia malayi Calcium binding EGF domain containing protein 0.0114 0.091 0.1718
Schistosoma mansoni lipoxygenase 0.0063 0.0349 0.0667
Brugia malayi CUB domain containing protein 0.0102 0.0783 0.1477
Trichomonas vaginalis conserved hypothetical protein 0.0227 0.217 0.809
Plasmodium falciparum cysteine repeat modular protein 1 0.0098 0.0729 0.3053
Toxoplasma gondii thioredoxin reductase 0.0042 0.0107 0.0288
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0076 0.0487 0.2027
Schistosoma mansoni hypothetical protein 0.0102 0.0783 0.1498
Brugia malayi CUB domain containing protein 0.0102 0.0783 0.1477
Entamoeba histolytica hypothetical protein 0.0073 0.0455 0.1879
Schistosoma mansoni heat shock protein 0.0037 0.0059 0.0112
Trypanosoma brucei heat shock protein, putative 0.0037 0.0059 0.027
Loa Loa (eye worm) hypothetical protein 0.0102 0.0774 0.1019
Echinococcus multilocularis Tolloid protein 1 0.0467 0.4847 0.4847
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0227 0.217 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0174 0.1578 0.1578
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0399 0.4086 0.782
Loa Loa (eye worm) hypothetical protein 0.0141 0.1208 0.1591
Echinococcus granulosus Tolloid protein 1 0.0467 0.4847 0.8734
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0102 0.0774 0.0774
Schistosoma mansoni hypothetical protein 0.0047 0.0164 0.0313
Loa Loa (eye worm) hypothetical protein 0.0714 0.7592 1
Echinococcus granulosus tissue type plasminogen activator 0.0098 0.0729 0.1314
Brugia malayi Suppressor of lurcher protein 1 precursor 0.0102 0.0783 0.1477
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0227 0.217 0.391
Brugia malayi Trypsin-like protease protein 5 0.0102 0.0774 0.146
Onchocerca volvulus 0.0044 0.0133 0.0205
Loa Loa (eye worm) heat shock protein 90 0.0037 0.0059 0.0077
Leishmania major heat shock protein 83-1 0.0037 0.0059 0.027
Echinococcus multilocularis Niemann Pick C1 protein 0.0113 0.0901 0.0901
Echinococcus multilocularis glycoprotein Antigen 5 0.0102 0.0774 0.0774
Brugia malayi bHLH-PAS transcription factor 0.0073 0.0456 0.086
Echinococcus granulosus enteropeptidase 0.0102 0.0774 0.1394
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0227 0.217 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0183 0.0241
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.0455 0.0455
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0115 0.092 0.1761
Loa Loa (eye worm) hypothetical protein 0.0247 0.2389 0.3146
Schistosoma mansoni cercarial elastase (S01 family) 0.0102 0.0774 0.148
Onchocerca volvulus 0.0298 0.2956 0.5557
Brugia malayi Lectin C-type domain containing protein 0.0102 0.0783 0.1477
Echinococcus granulosus neuropeptide s receptor 0.053 0.5549 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0025 0.0047
Leishmania major heat shock protein 83-1 0.0037 0.0059 0.027
Trypanosoma brucei heat shock protein, putative 0.0037 0.0059 0.027
Leishmania major heat shock protein 83-1 0.0037 0.0059 0.027
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.0268 0.0354
Toxoplasma gondii rhoptry neck protein RON9 0.0247 0.2389 0.6443
Brugia malayi glutathione reductase 0.0042 0.0107 0.0201
Schistosoma mansoni cercarial elastase (S01 family) 0.0102 0.0774 0.148
Echinococcus multilocularis survival motor neuron protein 1 0.0479 0.498 0.498
Brugia malayi Endoplasmin precursor 0.0037 0.0059 0.011
Loa Loa (eye worm) hypothetical protein 0.0247 0.2389 0.3146
Leishmania major heat shock protein 83-1 0.0037 0.0059 0.027
Schistosoma mansoni egf-like domain protein 0.0365 0.3708 0.7095
Toxoplasma gondii heat shock protein 90, putative 0.0037 0.0059 0.0158
Echinococcus granulosus expressed conserved protein 0.0106 0.0825 0.1486
Echinococcus multilocularis enteropeptidase 0.0102 0.0774 0.0774
Loa Loa (eye worm) hypothetical protein 0.0102 0.0783 0.1031
Schistosoma mansoni cercarial elastase (S01 family) 0.0102 0.0774 0.148
Echinococcus multilocularis protein dispatched 1 0.0055 0.0259 0.0259
Loa Loa (eye worm) hypothetical protein 0.0102 0.0783 0.1031
Schistosoma mansoni inositol transporter 0.0044 0.0133 0.0255
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0095 0.07 0.8559
Plasmodium vivax endoplasmin, putative 0.0037 0.0059 0.0245
Brugia malayi Trypsin family protein 0.0102 0.0774 0.146
Loa Loa (eye worm) TK/ROR protein kinase 0.0098 0.0729 0.0961
Loa Loa (eye worm) endoplasmin 0.0037 0.0059 0.0077
Schistosoma mansoni hypothetical protein 0.0102 0.0774 0.148
Plasmodium vivax thioredoxin reductase, putative 0.0042 0.0107 0.0447
Trypanosoma brucei heat shock protein, putative 0.0037 0.0059 0.027
Echinococcus granulosus high affinity choline transporter 1 0.0399 0.4083 0.7357
Trypanosoma brucei heat shock protein 90, putative 0.0037 0.0059 0.027
Trypanosoma cruzi trypanothione reductase, putative 0.0042 0.0107 0.0492
Plasmodium falciparum heat shock protein 90 0.0037 0.0059 0.0245
Schistosoma mansoni lozenge 0.0064 0.0353 0.0676
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0063 0.0349 0.0628
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0365 0.3708 0.4883
Loa Loa (eye worm) hypothetical protein 0.0044 0.0133 0.0175
Echinococcus multilocularis C type lectin domian containing protein 0.0247 0.2389 0.2389
Onchocerca volvulus Putative cubilin 0.0114 0.091 0.1679
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0025 0.0047
Brugia malayi Pax transcription factor protein 2 0.0488 0.5075 0.9575
Loa Loa (eye worm) hypothetical protein 0.0102 0.0774 0.1019
Entamoeba histolytica hypothetical protein 0.0073 0.0455 0.1879
Schistosoma mansoni thyroid hormone receptor 0.0174 0.1578 0.3019
Loa Loa (eye worm) hypothetical protein 0.0467 0.4847 0.6384
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0227 0.217 1
Echinococcus multilocularis fibrillin 1 0.0365 0.3708 0.3708
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0501 0.5226 1
Mycobacterium tuberculosis Probable reductase 0.0095 0.07 0.8559
Plasmodium vivax heat shock protein 86, putative 0.0037 0.0059 0.0245
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0076 0.0487 0.0641
Schistosoma mansoni cercarial elastase (S01 family) 0.0102 0.0774 0.148
Trypanosoma cruzi heat shock protein 90, putative 0.0037 0.0059 0.027
Brugia malayi Trypsin family protein 0.0102 0.0774 0.146
Echinococcus multilocularis c4b binding protein beta chain 0.0247 0.2389 0.2389
Loa Loa (eye worm) pregnancy-associated plasma protein-E 0.0247 0.2389 0.3146
Trypanosoma cruzi heat shock protein 85, putative 0.0037 0.0059 0.027
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.004 0.0092 0.0175
Echinococcus multilocularis laminin 0.0365 0.3708 0.3708
Echinococcus granulosus C type lectin domian containing protein 0.0247 0.2389 0.4305
Schistosoma mansoni cercarial elastase (S01 family) 0.0102 0.0774 0.148
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0102 0.0783 0.3607
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0076 0.0487 0.2242
Mycobacterium tuberculosis Probable oxidoreductase 0.0106 0.0818 1
Plasmodium vivax SET domain protein, putative 0.0034 0.0025 0.0103
Echinococcus multilocularis protein patched 0.0048 0.0183 0.0183
Loa Loa (eye worm) hypothetical protein 0.0102 0.0783 0.1031
Echinococcus multilocularis transfer RNA-Lys 0.0073 0.0456 0.0456
Schistosoma mansoni cercarial elastase (S01 family) 0.0102 0.0774 0.148
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0183 0.0477
Echinococcus granulosus thioredoxin glutathione reductase 0.0042 0.0107 0.0192
Loa Loa (eye worm) hypothetical protein 0.0508 0.53 0.6981
Brugia malayi hypothetical protein 0.0247 0.2389 0.4507
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0044 0.0133 0.0133
Echinococcus granulosus glycoprotein Antigen 5 0.0102 0.0774 0.1394
Echinococcus granulosus CUB 0.0102 0.0783 0.141
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0076 0.0487 0.0918
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.004 0.0092 0.0121
Loa Loa (eye worm) hypothetical protein 0.0247 0.2389 0.3146
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0227 0.217 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0011 0.0019
Toxoplasma gondii kringle domain-containing protein 0.0098 0.0729 0.1967
Loa Loa (eye worm) hypothetical protein 0.0113 0.0901 0.1186
Echinococcus multilocularis Mastin 0.0102 0.0774 0.0774
Loa Loa (eye worm) transcription factor SMAD2 0.0242 0.2338 0.3079
Brugia malayi Sodium:solute symporter family protein 0.0044 0.0133 0.0251
Echinococcus granulosus Niemann Pick C1 protein 0.0161 0.144 0.2596
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0239 0.2301 0.3031
Leishmania major heat shock protein 83-1 0.0037 0.0059 0.027
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0102 0.0774 0.0774
Brugia malayi hypothetical protein 0.0331 0.3327 0.6277
Onchocerca volvulus 0.0102 0.0783 0.1437
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0033 0.0013 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.03 0.2985 0.5631
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0144 0.1251 0.2255
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0025 0.0047
Loa Loa (eye worm) hypothetical protein 0.0247 0.2389 0.3146
Echinococcus granulosus single minded 2 0.0073 0.0456 0.0822
Onchocerca volvulus 0.0247 0.2389 0.4481
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.004 0.0092 0.0175
Echinococcus granulosus heat shock protein 0.0037 0.0059 0.0105
Schistosoma mansoni aryl hydrocarbon receptor 0.0099 0.0741 0.1419
Loa Loa (eye worm) hypoxia-induced factor 1 0.0305 0.3042 0.4006
Loa Loa (eye worm) CUB domain-containing protein 0.0102 0.0783 0.1031
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0042 0.0107 0.1304
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0102 0.0774 0.1394
Brugia malayi Cytochrome P450 family protein 0.0056 0.0268 0.0507
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0044 0.0133 0.0133
Brugia malayi Nematode astacin protease protein 30 0.0102 0.0783 0.1477
Entamoeba histolytica DNA repair and recombination protein, putative 0.0227 0.217 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.004 0.0092 0.0092
Echinococcus multilocularis neuropilin (nrp) and tolloid (tll) 0.0102 0.0783 0.0783
Schistosoma mansoni high-affinity choline transporter 0.0399 0.4083 0.7813
Loa Loa (eye worm) hypothetical protein 0.0399 0.4086 0.5382
Onchocerca volvulus 0.0102 0.0783 0.1437
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.004 0.0092 0.0173
Onchocerca volvulus 0.0102 0.0783 0.1437
Echinococcus granulosus transmembrane protease serine 3 0.0102 0.0774 0.1394
Onchocerca volvulus 0.0098 0.0732 0.1341
Schistosoma mansoni hypothetical protein 0.0098 0.0732 0.1401
Loa Loa (eye worm) hypothetical protein 0.0098 0.0729 0.0961
Echinococcus multilocularis thioredoxin glutathione reductase 0.0042 0.0107 0.0107
Brugia malayi hypothetical protein 0.0141 0.1208 0.2279
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0106 0.0818 1
Trypanosoma cruzi hypothetical protein, conserved 0.0098 0.0729 0.3361
Trichomonas vaginalis set domain proteins, putative 0.0272 0.2669 1
Loa Loa (eye worm) thioredoxin reductase 0.0042 0.0107 0.0141
Loa Loa (eye worm) hypothetical protein 0.0059 0.0304 0.0401
Brugia malayi Nematode astacin protease protein 30 0.0102 0.0783 0.1477
Leishmania major heat shock protein 83-1 0.0037 0.0059 0.027
Toxoplasma gondii calcium binding egf domain-containing protein 0.0365 0.3708 1
Onchocerca volvulus 0.0488 0.5075 0.9573
Brugia malayi Kelch motif family protein 0.0102 0.0783 0.1477
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0102 0.0783 0.1031
Echinococcus multilocularis neuropeptide receptor A26 0.053 0.5549 0.5549
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0467 0.4847 0.9275
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0102 0.0774 0.148
Schistosoma mansoni hypothetical protein 0.0102 0.0783 0.1498
Echinococcus multilocularis Protein lozenge 0.0064 0.0353 0.0353
Echinococcus granulosus cubilin 0.0102 0.0783 0.141
Plasmodium vivax apical sushi protein, putative 0.0247 0.2389 1
Loa Loa (eye worm) hypothetical protein 0.03 0.2985 0.3931
Loa Loa (eye worm) hypothetical protein 0.0034 0.0025 0.0033
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.004 0.0092 0.0175
Giardia lamblia Rrm3p helicase 0.0227 0.217 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0076 0.0487 0.2242
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0076 0.0487 0.0931
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0102 0.0774 0.1394
Loa Loa (eye worm) hypothetical protein 0.0479 0.498 0.656
Echinococcus granulosus heat shock protein 90 0.0037 0.0059 0.0105
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0365 0.3708 0.4883
Loa Loa (eye worm) runx1 0.0064 0.0353 0.0465
Loa Loa (eye worm) glutathione reductase 0.0042 0.0107 0.0141
Schistosoma mansoni inositol transporter 0.0044 0.0133 0.0255
Loa Loa (eye worm) trypsin family protein 0.0102 0.0774 0.1019
Loa Loa (eye worm) MH2 domain-containing protein 0.0242 0.2338 0.3079
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.0455 0.0821
Schistosoma mansoni sodium/solute symporter 0.0044 0.0133 0.0255
Onchocerca volvulus 0.0247 0.2389 0.4481
Brugia malayi Sushi domain 0.0247 0.2389 0.4507
Echinococcus granulosus Protein patched homolog 1 0.0048 0.0183 0.033
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0102 0.0774 0.148
Brugia malayi GCC2 and GCC3 family protein 0.0258 0.2517 0.4748
Loa Loa (eye worm) hypothetical protein 0.0114 0.091 0.1199
Schistosoma mansoni hypothetical protein 0.0102 0.0774 0.148
Leishmania major heat shock protein 83-1 0.0037 0.0059 0.027
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0113 0.0901 0.3989
Echinococcus granulosus cubilin 0.0102 0.0783 0.141
Echinococcus multilocularis CUB 0.0102 0.0783 0.0783
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0227 0.217 0.217
Schistosoma mansoni hypothetical protein 0.0047 0.0164 0.0313
Leishmania major heat shock protein 83-1 0.0037 0.0059 0.027
Schistosoma mansoni cercarial elastase (S01 family) 0.0102 0.0774 0.148
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.004 0.0092 0.0092
Mycobacterium tuberculosis Probable dehydrogenase 0.0095 0.07 0.8559
Schistosoma mansoni hypothetical protein 0.0047 0.0164 0.0313
Schistosoma mansoni hypothetical protein 0.0047 0.0164 0.0313
Schistosoma mansoni hypothetical protein 0.0102 0.0783 0.1498
Loa Loa (eye worm) hypothetical protein 0.0102 0.0783 0.1031
Brugia malayi Fibulin-1 precursor 0.0365 0.3708 0.6995
Brugia malayi CUB domain containing protein 0.0102 0.0783 0.1477
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.004 0.0092 0.0165
Plasmodium falciparum thioredoxin reductase 0.0042 0.0107 0.0447
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0102 0.0774 0.148
Brugia malayi Calcium binding EGF domain containing protein 0.0365 0.3708 0.6995
Echinococcus multilocularis Niemann Pick C1 protein 0.0161 0.144 0.144
Schistosoma mansoni patched 1 0.0048 0.0183 0.035
Echinococcus multilocularis heat shock protein 0.0037 0.0059 0.0059
Echinococcus granulosus sodium:glucose cotransporter 2 0.0044 0.0133 0.024
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0227 0.217 1
Leishmania major heat shock protein 83-1 0.0037 0.0059 0.027
Schistosoma mansoni cercarial elastase (S01 family) 0.0102 0.0774 0.148
Echinococcus granulosus geminin 0.0344 0.3468 0.6249
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0204 0.1913 0.3661

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Increase in uptake of DNA in CHOK1 cells after 4 hrs ChEMBL. 17228872
Activity (functional) = 40 % Transfection efficiency in eGFP encoding DNA transfected CHOK1 cells after 24 hrs at 5 ug/mL ChEMBL. 17228872
Survival (functional) >= 90 % Survival of CHO cells after 48 hrs upto 6.4 uM ChEMBL. 17228872

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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