Detailed information for compound 553626

Basic information

Technical information
  • TDR Targets ID: 553626
  • Name: eunicin
  • MW: 334.45 | Formula: C20H30O4
  • H donors: 1 H acceptors: 2 LogP: 3.41 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: C/C/1=C/CCC(C)(O)C2OC(C(CCC1)C)C1OC(=O)C(=C)C1C2
  • InChi: 1S/C20H30O4/c1-12-7-5-9-13(2)17-18-15(14(3)19(21)24-18)11-16(23-17)20(4,22)10-6-8-12/h8,13,15-18,22H,3,5-7,9-11H2,1-2,4H3/b12-8-
  • InChiKey: RFCBIORAGZWLAM-WQLSENKSSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 55822-19-0
  • 22551-45-7
  • NSC310820
  • CUEUNICIN
  • NSC282752
  • NCI60_002318

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
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.6315 0.8342
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.1116 0.4071
Entamoeba histolytica hypothetical protein 0.0036 0.0164 0.5
Loa Loa (eye worm) TAR-binding protein 0.0063 0.2503 1
Brugia malayi hypothetical protein 0.0036 0.0164 0.0655
Plasmodium vivax glutathione reductase, putative 0.0047 0.1116 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.0164 0.5
Echinococcus multilocularis tar DNA binding protein 0.0063 0.2503 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2503 0.2503
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0119 0.7348 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2503 0.2503
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0119 0.7348 1
Brugia malayi TAR-binding protein 0.0063 0.2503 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1362 0.5442
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.1116 0.5
Leishmania major trypanothione reductase 0.0047 0.1116 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.6315 0.8342
Toxoplasma gondii thioredoxin reductase 0.0047 0.1116 0.5
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0107 0.6315 0.8342
Brugia malayi Thioredoxin reductase 0.0047 0.1116 0.4459
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1362 0.5442
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0119 0.7348 1
Echinococcus granulosus tar DNA binding protein 0.0063 0.2503 1
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.1116 0.4459
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2503 0.2503
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1362 0.5442
Entamoeba histolytica hypothetical protein 0.0036 0.0164 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.2503 1
Trypanosoma brucei trypanothione reductase 0.0047 0.1116 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.0164 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.2503 1
Loa Loa (eye worm) RNA binding protein 0.0063 0.2503 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2503 0.2503
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0107 0.6315 0.8342
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.1116 0.4071
Mycobacterium tuberculosis Probable reductase 0.0107 0.6315 0.8342
Mycobacterium tuberculosis Probable oxidoreductase 0.0119 0.7348 1
Brugia malayi RNA binding protein 0.0063 0.2503 1
Plasmodium falciparum glutathione reductase 0.0047 0.1116 0.5
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.1116 0.5
Brugia malayi glutathione reductase 0.0047 0.1116 0.4459
Plasmodium falciparum thioredoxin reductase 0.0047 0.1116 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.0164 0.0164
Loa Loa (eye worm) glutathione reductase 0.0047 0.1116 0.4459
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2503 0.2503
Mycobacterium tuberculosis Probable dehydrogenase 0.0107 0.6315 0.8342
Loa Loa (eye worm) hypothetical protein 0.005 0.1362 0.5442
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0164 0.0164

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.289 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.251 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.094 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the P388 Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.034 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.971 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.783 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.709 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.491 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) 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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