Detailed information for compound 579230

Basic information

Technical information
  • TDR Targets ID: 579230
  • Name: (3S,6Z,8Z,13Z,15R,16R,19R)-3-hydroxy-16-isopr opyl-7,15,19-trimethyl-17,24-dioxa-11,20,25-t riazabicyclo[20.2.1]pentacosa-1(25),6,8,13,22 -pentaene-12,18,21-trione
  • MW: 487.588 | Formula: C26H37N3O6
  • H donors: 3 H acceptors: 5 LogP: 3.53 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NCC=CC(=CCC[C@H](O)Cc2nc(C(=O)N[C@@H](C(=O)O[C@@H]([C@@H](C=C1)C)C(C)C)C)co2)C
  • InChi: 1S/C26H37N3O6/c1-16(2)24-18(4)11-12-22(31)27-13-7-9-17(3)8-6-10-20(30)14-23-29-21(15-34-23)25(32)28-19(5)26(33)35-24/h7-9,11-12,15-16,18-20,24,30H,6,10,13-14H2,1-5H3,(H,27,31)(H,28,32)/b9-7-,12-11-,17-8-/t18-,19-,20+,24-/m1/s1
  • InChiKey: HYYZDUUXSSRJQZ-YIBNVXJJSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (3S,6Z,8Z,13Z,15R,16R,19R)-3-hydroxy-7,15,19-trimethyl-16-propan-2-yl-17,24-dioxa-11,20,25-triazabicyclo[20.2.1]pentacosa-1(25),6,8,13,22-pentaene-12,18,21-trione
  • A 17002 C
  • 71843-98-6
  • A-17002C
  • Madumycin I, 15-deoxo-13-deoxy-15-hydroxy-

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
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0126 0.4732
Echinococcus multilocularis lamin 0.0027 0.0126 0.0102
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0074 1
Echinococcus granulosus intermediate filament protein 0.0027 0.0126 0.0102
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0074 0.005
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.0074 0.5
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0074 0.5
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.1374 1 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0024 0.0817
Onchocerca volvulus 0.0027 0.0126 0.5
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0074 0.1717
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0074 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0264 0.024
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0126 0.4732
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0003 0.0107
Schistosoma mansoni DNA helicase recq1 0.002 0.0074 0.2804
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0035 0.1219
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0003 0.0381
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0003 1
Treponema pallidum ATP-dependent DNA helicase 0.001 0.0003 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0264 0.024
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0264 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0021 0.0679
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0074 0.2726
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0264 1
Schistosoma mansoni lamin 0.0027 0.0126 0.4788
Echinococcus multilocularis lamin dm0 0.0027 0.0126 0.0102
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0074 0.005
Entamoeba histolytica recQ family helicase, putative 0.002 0.0074 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0074 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0123 0.4594
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0074 0.1717
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0074 0.5
Echinococcus multilocularis musashi 0.0027 0.0126 0.0102
Echinococcus multilocularis thymidine phosphorylase 0.1374 1 1
Loa Loa (eye worm) RecQ helicase 0.002 0.0074 0.2726
Loa Loa (eye worm) hypothetical protein 0.0013 0.0021 0.0679
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0074 0.005
Loa Loa (eye worm) hypothetical protein 0.001 0.0003 0.000000002293
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0264 1
Echinococcus multilocularis bloom syndrome protein 0.002 0.0074 0.005
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0074 0.1717
Schistosoma mansoni lamin 0.0027 0.0126 0.4788
Loa Loa (eye worm) hypothetical protein 0.0027 0.0126 0.4732
Brugia malayi intermediate filament protein 0.0027 0.0126 0.4001
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0264 0.024
Echinococcus granulosus bloom syndrome protein 0.002 0.0074 0.005
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0388 0.2772 0.5
Entamoeba histolytica recQ family DNA helicase 0.001 0.0003 0.0381
Mycobacterium ulcerans thymidine phosphorylase 0.1374 1 1
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.0074 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0264 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0074 0.5
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0074 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0074 0.2726
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0074 0.005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0264 1
Schistosoma mansoni intermediate filament proteins 0.0027 0.0126 0.4788
Echinococcus granulosus lamin 0.0027 0.0126 0.0102
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0074 0.5
Onchocerca volvulus 0.0027 0.0126 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0264 0.024
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0126 0.4001
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0074 0.5
Schistosoma mansoni DNA helicase recq5 0.002 0.0074 0.2804
Echinococcus granulosus lamin dm0 0.0027 0.0126 0.0102

Activities

No activities found for this compound.

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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