Detailed information for compound 1624669

Basic information

Technical information
  • TDR Targets ID: 1624669
  • Name: ethyl 4-[2,3,4-tris(1-ethoxycarbonylpyridin-4 -ylidene)cyclobutylidene]pyridine-1-carboxyla te
  • MW: 652.693 | Formula: C36H36N4O8
  • H donors: 0 H acceptors: 4 LogP: 2.62 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOC(=O)n1ccc(=C2C(=c3ccn(cc3)C(=O)OCC)C(=c3ccn(cc3)C(=O)OCC)C2=c2ccn(cc2)C(=O)OCC)cc1
  • InChi: 1S/C36H36N4O8/c1-5-45-33(41)37-17-9-25(10-18-37)29-30(26-11-19-38(20-12-26)34(42)46-6-2)32(28-15-23-40(24-16-28)36(44)48-8-4)31(29)27-13-21-39(22-14-27)35(43)47-7-3/h9-24H,5-8H2,1-4H3
  • InChiKey: RRFZNTZTIXTQNT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 4-[2,3,4-tris(1-ethoxycarbonyl-4-pyridylidene)cyclobutylidene]pyridine-1-carboxylate
  • 4-[2,3,4-tris(1-ethoxycarbonyl-4-pyridylidene)cyclobutylidene]-1-pyridinecarboxylic acid ethyl ester
  • 4-[2,3,4-tris(1-carbethoxy-4-pyridylidene)cyclobutylidene]pyridine-1-carboxylic acid ethyl ester
  • 62415-93-4
  • NSC350013

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
Echinococcus granulosus tar DNA binding protein 0.0073 0.0112 0.0112
Echinococcus granulosus eukaryotic translation initiation factor 4E type 0.0205 0.0902 0.0902
Plasmodium falciparum eukaryotic translation initiation factor 4E, putative 0.0205 0.0902 1
Loa Loa (eye worm) RNA binding protein 0.0073 0.0112 0.0112
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.1719 1 1
Loa Loa (eye worm) eukaryotic translation initiation factor 4E type 3 0.0205 0.0902 0.0902
Trypanosoma cruzi Eukaryotic translation initiation factor 4E type 5, putative 0.0205 0.0902 0.0902
Giardia lamblia hypothetical protein 0.0205 0.0902 0.5
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.1719 1 1
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.1719 1 1
Toxoplasma gondii hypothetical protein 0.0205 0.0902 0.0902
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0139 0.0505 1
Leishmania major eukaryotic translation initiation factor-like 0.1719 1 1
Trypanosoma brucei Eukaryotic translation initiation factor 4E type 5 0.0205 0.0902 0.0902
Trypanosoma cruzi eukaryotic translation initiation factor 4E (eIF4E) interacting protein, putative 0.0205 0.0902 0.0902
Leishmania major hypothetical protein, conserved 0.0205 0.0902 0.0902
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0125 0.0421 0.8342
Brugia malayi TAR-binding protein 0.0073 0.0112 0.0112
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.1719 1 1
Brugia malayi eukaryotic translation initiation factor 4E-1 0.0205 0.0902 0.0902
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0205 0.0902 0.0902
Giardia lamblia Hypothetical protein 0.0205 0.0902 0.5
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.1719 1 1
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.1719 1 1
Onchocerca volvulus Putative eukaryotic translation initiation factor 4e 0.0205 0.0902 0.5
Loa Loa (eye worm) TAR-binding protein 0.0073 0.0112 0.0112
Trypanosoma brucei Eukaryotic translation initiation factor 4E-2 0.0205 0.0902 0.0902
Trypanosoma cruzi eukaryotic translation initiation factor 4E (eIF4E) interacting protein, putative 0.0205 0.0902 0.0902
Loa Loa (eye worm) translation initiation factor 4E 0.1719 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.0112 0.0112
Mycobacterium tuberculosis Probable dehydrogenase 0.0125 0.0421 0.8342
Brugia malayi RNA binding protein 0.0073 0.0112 0.0112
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.1719 1 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0125 0.0421 0.8342
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0139 0.0505 1
Giardia lamblia Translation elongation factor 0.0205 0.0902 0.5
Leishmania major eukaryotic translation initiation factor 4e, putative 0.0205 0.0902 0.0902
Leishmania major hypothetical protein, conserved 0.0205 0.0902 0.0902
Leishmania major eukaryotic translation initiation factor, putative 0.0205 0.0902 0.0902
Brugia malayi Eukaryotic translation initiation factor 4E type 3, putative 0.0205 0.0902 0.0902
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0125 0.0421 0.8342
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.1719 1 1
Plasmodium vivax translation initiation factor 4E, putative 0.0205 0.0902 1
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-4 0.0205 0.0902 0.0902
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.1719 1 1
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.1719 1 1
Trypanosoma brucei Eukaryotic translation initiation factor 4E-4 0.0205 0.0902 0.0902
Loa Loa (eye worm) eukaryotic translation initiation factor 4E-1 0.0205 0.0902 0.0902
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-4 0.0205 0.0902 0.0902
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.1719 1 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0125 0.0421 0.8342
Plasmodium falciparum eukaryotic translation initiation factor 4E 0.0205 0.0902 1
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.1719 1 1
Mycobacterium tuberculosis Probable reductase 0.0125 0.0421 0.8342
Trypanosoma cruzi Eukaryotic translation initiation factor 4E type 5, putative 0.0205 0.0902 0.0902
Giardia lamblia Hypothetical protein 0.0205 0.0902 0.5
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.1719 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0139 0.0505 1
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-3 0.0205 0.0902 0.0902
Leishmania major eukaryotic translation initiation factor-like protein 0.1719 1 1
Plasmodium vivax hypothetical protein, conserved 0.0205 0.0902 1
Echinococcus multilocularis tar DNA binding protein 0.0073 0.0112 0.0112
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.0112 0.0112
Trypanosoma brucei Eukaryotic translation initiation factor 4E-3 0.0205 0.0902 0.0902
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0139 0.0505 1
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.1719 1 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -7.196 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) -5.526 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.888 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
GI50 (functional) -4.87 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.694 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) -4.602 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) -4.582 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) -4.482 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) -4.452 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate 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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