Detailed information for compound 1614043

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 376.404 | Formula: C19H24N2O6
  • H donors: 3 H acceptors: 4 LogP: 2.24 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1C(c2ccc(cc2)OC)c2c(O)[nH]nc2CC1(O)OCC
  • InChi: 1S/C19H24N2O6/c1-4-26-18(23)16-14(11-6-8-12(25-3)9-7-11)15-13(20-21-17(15)22)10-19(16,24)27-5-2/h6-9,14,16,24H,4-5,10H2,1-3H3,(H2,20,21,22)
  • InChiKey: NXXQPBQSSHTVLR-UHFFFAOYSA-N  

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
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0273 0.1867 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0767 0.5491 1
Plasmodium vivax hypothetical protein, conserved 0.0767 0.5491 0.5
Loa Loa (eye worm) brahma associated protein 0.0767 0.5491 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0767 0.5491 1
Trichomonas vaginalis conserved hypothetical protein 0.0767 0.5491 1
Brugia malayi brahma associated protein 60 kDa 0.0767 0.5491 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0273 0.1867 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0028 0.005
Echinococcus granulosus Zinc finger RanBP2 type 0.0273 0.1867 0.1844
Schistosoma mansoni hypothetical protein 0.0767 0.5491 1
Schistosoma mansoni RNA binding protein 0.0273 0.1867 0.3366
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0273 0.1867 0.3366
Loa Loa (eye worm) hypothetical protein 0.0202 0.1349 0.2457
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0076 0.0425 0.0774
Echinococcus granulosus SWI:SNF matrix associated 0.0767 0.5491 0.5479
Onchocerca volvulus 0.0273 0.1867 0.125
Loa Loa (eye worm) hypothetical protein 0.0273 0.1867 0.34
Trypanosoma cruzi hypothetical protein, conserved 0.0273 0.1867 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0767 0.5491 0.5479
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0273 0.1867 1
Loa Loa (eye worm) hypothetical protein 0.0273 0.1867 0.34
Onchocerca volvulus 0.0273 0.1867 0.125
Onchocerca volvulus 0.0273 0.1867 0.125
Trypanosoma cruzi hypothetical protein, conserved 0.0273 0.1867 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0076 0.0425 0.0398
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0273 0.1867 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0767 0.5491 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0767 0.5491 0.5479
Schistosoma mansoni brg-1 associated factor 0.0767 0.5491 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0273 0.1867 1
Schistosoma mansoni cellular tumor antigen P53 0.0202 0.1349 0.2418
Schistosoma mansoni zinc finger protein 0.0273 0.1867 0.3366
Echinococcus multilocularis zinc finger protein Ran binding 0.0273 0.1867 0.1844
Leishmania major hypothetical protein, conserved 0.0273 0.1867 1
Schistosoma mansoni voltage-gated potassium channel 0.0083 0.0476 0.0821
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0076 0.0425 0.0727
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0273 0.1867 0.1844
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0767 0.5491 1
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0767 0.5491 0.5479
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0767 0.5491 0.5
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0273 0.1867 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0273 0.1867 0.3366
Schistosoma mansoni fusion 0.0273 0.1867 0.3366
Schistosoma mansoni hypothetical protein 0.0767 0.5491 1
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0273 0.1867 0.1844
Loa Loa (eye worm) hypothetical protein 0.0273 0.1867 0.34
Onchocerca volvulus 0.0767 0.5491 1
Chlamydia trachomatis DNA topoisomerase I 0.0767 0.5491 0.5
Brugia malayi Cytochrome P450 family protein 0.0026 0.0054 0.0049
Loa Loa (eye worm) CYP4Cod1 0.0026 0.0054 0.0099
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0076 0.0425 0.0398
Onchocerca volvulus 0.0273 0.1867 0.125
Leishmania major hypothetical protein, conserved 0.0273 0.1867 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0273 0.1867 0.3366
Brugia malayi brahma associated protein 60 kDa 0.0767 0.5491 1
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0273 0.1867 0.1844
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0767 0.5491 0.5479
Schistosoma mansoni hypothetical protein 0.0767 0.5491 1
Schistosoma mansoni TRABID protein (C64 family) 0.0273 0.1867 0.3366
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0767 0.5491 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0054 0.0099
Trypanosoma cruzi WLM domain containing protein, putative 0.0273 0.1867 1
Chlamydia trachomatis SWIB complex protein 0.0767 0.5491 0.5
Brugia malayi SWIB/MDM2 domain containing protein 0.0767 0.5491 1
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0273 0.1867 0.125
Leishmania major hypothetical protein, conserved 0.0273 0.1867 1
Brugia malayi Cytochrome P450 family protein 0.0026 0.0054 0.0049
Loa Loa (eye worm) hypothetical protein 0.0273 0.1867 0.34
Brugia malayi YY1-associated factor 2 0.0273 0.1867 0.3366
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0273 0.1867 0.3366
Echinococcus granulosus ring and YY1 binding protein 0.0273 0.1867 0.1844
Trypanosoma brucei hypothetical protein, conserved 0.0273 0.1867 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0273 0.1867 1
Schistosoma mansoni hypothetical protein 0.0273 0.1867 0.3366
Leishmania major hypothetical protein, conserved 0.0273 0.1867 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0767 0.5491 0.5479
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0026 0.0054 0.5
Echinococcus granulosus zinc finger protein Ran binding 0.0273 0.1867 0.1844
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0054 0.0099
Trypanosoma brucei hypothetical protein, conserved 0.0273 0.1867 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0273 0.1867 1
Schistosoma mansoni voltage-gated potassium channel 0.0083 0.0476 0.0821
Leishmania major hypothetical protein, conserved 0.0273 0.1867 1
Loa Loa (eye worm) hypothetical protein 0.0273 0.1867 0.34
Trypanosoma cruzi hypothetical protein, conserved 0.0273 0.1867 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0351 0.0639
Echinococcus multilocularis ring and YY1 binding protein 0.0273 0.1867 0.1844

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 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 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 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 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 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 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 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 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
GI50 (functional) -4 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 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

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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