Detailed information for compound 1480411

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 514.584 | Formula: C21H38O12S
  • H donors: 4 H acceptors: 8 LogP: 0.63 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCC(=O)OCC(O[C@@H]1O[C@H](CS(=O)(=O)O)[C@H]([C@@H]([C@H]1O)O)O)COC(=O)CCCCC
  • InChi: 1S/C21H38O12S/c1-3-5-7-9-16(22)30-11-14(12-31-17(23)10-8-6-4-2)32-21-20(26)19(25)18(24)15(33-21)13-34(27,28)29/h14-15,18-21,24-26H,3-13H2,1-2H3,(H,27,28,29)/t15-,18-,19+,20-,21-/m1/s1
  • InChiKey: QOPAWJHJZPZKHP-CMWLGVBASA-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
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0189 0.2069 0.5829
Plasmodium vivax exosome complex exonuclease RRP6, putative 0.0057 0.0565 0.1101
Schistosoma mansoni DNA helicase recq1 0.0189 0.2069 0.4451
Echinococcus granulosus smad 0.0017 0.0109 0.0212
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0096 0.1014 0.3229
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0109 0.0212
Brugia malayi MH2 domain containing protein 0.0246 0.2724 0.5308
Schistosoma mansoni Smad4 0.0008 0.0003 0.0006
Schistosoma mansoni apoptosis regulator bax 0.0087 0.0906 0.195
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0189 0.2069 0.403
Schistosoma mansoni hypothetical protein 0.0087 0.0906 0.195
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0471 0.0468
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0048 0.0094
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0087 0.0906 0.1767
Loa Loa (eye worm) hypothetical protein 0.0096 0.1014 0.1011
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0154 0.1666 0.1663
Brugia malayi MH1 domain containing protein 0.0009 0.0023 0.004
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.002 0.0039
Onchocerca volvulus 0.0029 0.025 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0471 0.0918
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0087 0.0906 0.1767
Giardia lamblia Sgs1 DNA helicase, putative 0.0189 0.2069 0.5
Schistosoma mansoni hypothetical protein 0.035 0.3901 0.8392
Schistosoma mansoni hypothetical protein 0.0087 0.0906 0.195
Echinococcus multilocularis mothers against decapentaplegic 6 0.0008 0.0003 0.0006
Schistosoma mansoni blooms syndrome DNA helicase 0.0361 0.4032 0.8676
Loa Loa (eye worm) hypothetical protein 0.0189 0.2069 0.2066
Loa Loa (eye worm) MH2 domain-containing protein 0.0246 0.2724 0.2722
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0189 0.2069 0.5829
Brugia malayi MH1 domain containing protein 0.0017 0.0109 0.0206
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0446 0.0961
Echinococcus granulosus dnaJ subfamily B 0.0415 0.4648 0.9062
Echinococcus multilocularis Smad4 0.0017 0.0109 0.0212
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.002 0.0039
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0471 0.0912
Loa Loa (eye worm) hypothetical protein 0.0087 0.0906 0.0904
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0109 0.0234
Entamoeba histolytica recQ family DNA helicase 0.0096 0.1014 0.2102
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0189 0.2069 0.403
Loa Loa (eye worm) hypothetical protein 0.0105 0.1113 0.111
Schistosoma mansoni smad1 5 8 and 0.0017 0.0109 0.0234
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0245 0.2702 1
Schistosoma mansoni DNA helicase recq5 0.0189 0.2069 0.4451
Entamoeba histolytica recQ family helicase, putative 0.0245 0.2702 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.025 0.0481
Echinococcus multilocularis mothers against decapentaplegic 2 0.0008 0.0003 0.0006
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0056 0.055 0.0796
Plasmodium vivax ATP-dependent DNA helicase Q1, putative 0.0093 0.0972 0.2361
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0306 0.34 1
Schistosoma mansoni hypothetical protein 0.0105 0.1113 0.2394
Brugia malayi MH1 domain containing protein 0.0017 0.0109 0.0206
Mycobacterium ulcerans hypothetical protein 0.0057 0.0565 1
Leishmania major exosome subunit rrp6p homologue, putative 0.0057 0.0565 0.1427
Echinococcus multilocularis cpg binding protein 0.0031 0.0269 0.0524
Loa Loa (eye worm) histone methyltransferase 0.0009 0.002 0.0017
Brugia malayi 3'-5' exonuclease family protein 0.0057 0.0565 0.1096
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0471 0.0918
Echinococcus granulosus GPCR family 2 0.0049 0.0471 0.0918
Echinococcus granulosus cpg binding protein 0.0031 0.0269 0.0524
Schistosoma mansoni cpg binding protein 0.0029 0.025 0.0537
Loa Loa (eye worm) nuclear factor I 0.0009 0.0023 0.002
Schistosoma mansoni hypothetical protein 0.0011 0.0048 0.0104
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0402 0.4496 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0189 0.2069 0.2066
Echinococcus granulosus geminin 0.035 0.3901 0.7605
Echinococcus granulosus mothers against decapentaplegic 2 0.0008 0.0003 0.0006
Trichomonas vaginalis DNA helicase recq, putative 0.0245 0.2702 0.4699
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0189 0.2069 0.4034
Loa Loa (eye worm) hypothetical protein 0.0154 0.1666 0.1663
Echinococcus granulosus mothers against decapentaplegic 6 0.0008 0.0003 0.0006
Loa Loa (eye worm) 3'-5' exonuclease 0.0057 0.0565 0.0562
Schistosoma mansoni Smad4 0.0017 0.0109 0.0234
Schistosoma mansoni cpg binding protein 0.0031 0.0269 0.0578
Echinococcus granulosus bloom syndrome protein 0.0458 0.5129 1
Entamoeba histolytica recQ family helicase, putative 0.0093 0.0972 0.1907
Schistosoma mansoni cpg binding protein 0.0031 0.0269 0.0578
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0109 0.0212
Echinococcus granulosus Helicase RNase D C terminal HRDC domain 0.0057 0.0565 0.1101
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0019 0.0031
Schistosoma mansoni polymyositis/scleroderma autoantigen-related 0.0057 0.0565 0.1215
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0446 0.0871
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0547 0.1059
Trypanosoma cruzi ribosomal RNA processing protein 6, putative 0.0057 0.0565 0.1427
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0446 0.0871
Echinococcus granulosus Smad4 0.0017 0.0109 0.0212
Brugia malayi Calcitonin receptor-like protein seb-1 0.0154 0.1666 0.3244
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0109 0.0212
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0446 0.0961
Schistosoma mansoni smad1 5 8 and 0.0017 0.0109 0.0234
Mycobacterium leprae conserved hypothetical protein 0.0057 0.0565 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.0471 0.0468
Echinococcus multilocularis dnaJ subfamily B 0.0415 0.4648 0.9062
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0109 0.0212
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0446 0.0871
Echinococcus multilocularis smad 0.0017 0.0109 0.0212
Schistosoma mansoni hypothetical protein 0.0415 0.4648 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0309 0.3441 1
Brugia malayi hypothetical protein 0.0017 0.0106 0.02
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0189 0.2069 0.4034
Schistosoma mansoni hypothetical protein 0.0049 0.0471 0.1013
Loa Loa (eye worm) Smad1 0.0017 0.0109 0.0106
Echinococcus multilocularis Helicase RNase D C terminal, HRDC domain 0.0057 0.0565 0.1101
Loa Loa (eye worm) RecQ helicase 0.0458 0.5129 0.5127
Schistosoma mansoni hypothetical protein 0.035 0.3901 0.8392
Schistosoma mansoni smad 0.0008 0.0003 0.0006
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0446 0.0961
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0471 0.0918
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0446 0.0444
Echinococcus multilocularis bloom syndrome protein 0.0458 0.5129 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0446 0.0871
Echinococcus multilocularis geminin 0.035 0.3901 0.7605
Treponema pallidum ATP-dependent DNA helicase 0.0096 0.1014 0.5
Schistosoma mansoni blooms syndrome DNA helicase 0.0096 0.1014 0.2182
Brugia malayi latrophilin 2 splice variant baaae 0.0105 0.1113 0.2165
Brugia malayi MH1 domain containing protein 0.0009 0.0023 0.004
Brugia malayi Bloom's syndrome protein homolog 0.0458 0.5129 1
Brugia malayi MH2 domain containing protein 0.0017 0.0109 0.0206
Loa Loa (eye worm) apoptosis regulator protein 0.0087 0.0906 0.0904
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0087 0.0906 0.195
Brugia malayi MH2 domain containing protein 0.0017 0.0109 0.0206
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.0565 0.0031
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0087 0.0906 0.1767
Brugia malayi hypothetical protein 0.0026 0.0209 0.0402
Schistosoma mansoni Smad4 0.0008 0.0003 0.0006
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0087 0.0906 0.1762
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0446 0.0865
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0245 0.2702 1
Mycobacterium tuberculosis Conserved hypothetical alanine rich protein 0.0057 0.0565 1
Loa Loa (eye worm) transcription factor SMAD2 0.0246 0.2724 0.2722
Echinococcus multilocularis GPCR, family 2 0.0049 0.0471 0.0918
Trichomonas vaginalis DNA helicase recq1, putative 0.0458 0.5129 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0109 0.0106
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0048 0.0094
Schistosoma mansoni smad1 5 8 and 0.0017 0.0109 0.0234
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0096 0.1014 0.2523
Loa Loa (eye worm) hypothetical protein 0.0009 0.0023 0.002
Schistosoma mansoni hypothetical protein 0.0049 0.0471 0.1013
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.025 0.0247
Trichomonas vaginalis DNA helicase recq, putative 0.0458 0.5129 1
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0471 0.0912
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0622 0.1338
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0189 0.2069 0.4338
Trypanosoma brucei ribosomal RNA processing protein 6 0.0057 0.0565 0.1427
Schistosoma mansoni hypothetical protein 0.0087 0.0906 0.195
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0154 0.1666 0.3244
Schistosoma mansoni hypothetical protein 0.0049 0.0471 0.1013
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0087 0.0906 0.1767
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0245 0.2702 1
Schistosoma mansoni smad 0.0017 0.0109 0.0234
Plasmodium vivax hypothetical protein, conserved 0.0056 0.055 0.1056
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0096 0.1014 0.3229
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0109 0.0106
Brugia malayi Smad1 0.0017 0.0109 0.0206
Loa Loa (eye worm) hypothetical protein 0.0026 0.0209 0.0206
Toxoplasma gondii 3'-5' exonuclease domain-containing protein 0.0057 0.0565 0.1115
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0189 0.2069 0.4034
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0471 0.0918
Schistosoma mansoni hypothetical protein 0.0049 0.0471 0.1013
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0189 0.2069 0.4034

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 13 % Inhibition of human Akt1 PH domain using AKTide-2T as substrate at 100 uM by ELISA ChEMBL. 27316541

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

1 literature reference was collected for this gene.

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