Detailed information for compound 2011896

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 556.755 | Formula: C28H48N2O7S
  • H donors: 4 H acceptors: 6 LogP: 2.8 Rotable bonds: 24
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCCCCCCCCC/C=C\[C@@H]([C@@H](CCC(=O)[C@H]1CCC(=O)O1)O)SC[C@@H](C(=O)NCC(=O)O)N
  • InChi: 1S/C28H48N2O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25(38-20-21(29)28(36)30-19-26(33)34)23(32)16-15-22(31)24-17-18-27(35)37-24/h13-14,21,23-25,32H,2-12,15-20,29H2,1H3,(H,30,36)(H,33,34)/b14-13-/t21-,23+,24+,25-/m0/s1
  • InChiKey: QUZJPOUPBVGSQC-QGJKYZLESA-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
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.211 0.4271
Loa Loa (eye worm) CYP4Cod1 0.0037 0.069 0.1028
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0175 0.0044
Echinococcus multilocularis tumor protein p63 0.034 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0175 0.0261
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0175 0.0261
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0175 0.0044
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0037 0.069 0.0566
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0175 0.0261
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0175 0.0044
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0175 0.0261
Onchocerca volvulus 0.0083 0.211 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0175 0.0261
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0175 0.0261
Loa Loa (eye worm) hypothetical protein 0.002 0.0175 0.0261
Schistosoma mansoni coup transcription factor 0.002 0.0175 0.0093
Loa Loa (eye worm) hypothetical protein 0.005 0.1082 0.1612
Loa Loa (eye worm) hypothetical protein 0.0037 0.069 0.1028
Echinococcus granulosus lamin 0.0027 0.0387 0.0259
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0037 0.069 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0372 0.0554
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0175 0.0044
Brugia malayi nuclear hormone receptor 0.002 0.0175 0.0261
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0175 0.0261
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0175 0.0044
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0175 0.0261
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0175 0.0261
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0037 0.069 0.1206
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0175 0.0044
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0175 0.0093
Schistosoma mansoni hypothetical protein 0.0068 0.1652 0.3282
Echinococcus multilocularis musashi 0.0027 0.0387 0.0259
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0273 0.252
Loa Loa (eye worm) hypothetical protein 0.002 0.0175 0.0261
Echinococcus multilocularis lamin dm0 0.0027 0.0387 0.0259
Schistosoma mansoni intermediate filament proteins 0.0027 0.0387 0.0551
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0175 0.0093
Brugia malayi follicle stimulating hormone receptor 0.0233 0.6714 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0175 0.0044
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0175 0.0261
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0037 0.069 0.0566
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0084 0.2136 0.2031
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.069 1
Onchocerca volvulus 0.0066 0.1581 0.7267
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0175 0.0044
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0175 0.0044
Brugia malayi nuclear receptor NHR-88 0.002 0.0175 0.0261
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0175 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0175 0.0261
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.069 1
Onchocerca volvulus 0.0027 0.0387 0.1096
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0273 1
Mycobacterium leprae conserved hypothetical protein 0.0023 0.0273 0.5
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0273 1
Trypanosoma cruzi cytochrome P450, putative 0.0037 0.069 0.9995
Schistosoma mansoni hypothetical protein 0.0169 0.4765 1
Echinococcus multilocularis jun protein 0.0084 0.2136 0.2031
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0132 0.0196
Schistosoma mansoni hypothetical protein 0.0126 0.3425 0.7108
Echinococcus granulosus ubiquitin specific protease 41 0.0037 0.069 0.0566
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0037 0.069 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0175 0.0093
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0175 0.0044
Schistosoma mansoni cellular tumor antigen P53 0.005 0.1082 0.2052
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0175 0.0261
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0175 0.0093
Entamoeba histolytica hypothetical protein 0.0023 0.0273 0.252
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0175 0.0261
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0387 0.0577
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0273 0.2521
Echinococcus granulosus geminin 0.0169 0.4765 0.4695
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0175 0.0261
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.069 1
Brugia malayi Cytochrome P450 family protein 0.0037 0.069 0.1028
Loa Loa (eye worm) hypothetical protein 0.002 0.0175 0.0261
Echinococcus granulosus jun protein 0.0084 0.2136 0.2031
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0175 0.0261
Brugia malayi intermediate filament protein 0.0027 0.0387 0.0577
Brugia malayi hypothetical protein 0.0066 0.1581 0.2355
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0126 0.3425 0.3337
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0132 0.0196
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.211 0.2005
Loa Loa (eye worm) hypothetical protein 0.0082 0.2065 0.3076
Echinococcus multilocularis ubiquitin specific protease 41 0.0037 0.069 0.0566
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0037 0.069 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0175 0.0261
Loa Loa (eye worm) hypothetical protein 0.002 0.0175 0.0261
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0273 1
Schistosoma mansoni nuclear hormone receptor 0.002 0.0175 0.0093
Trypanosoma cruzi cytochrome P450, putative 0.0037 0.069 0.9995
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0175 0.0261
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0037 0.069 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0175 0.0261
Schistosoma mansoni lamin 0.0027 0.0387 0.0551
Onchocerca volvulus 0.0027 0.0387 0.1096
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0273 0.2521
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0175 0.0261
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0175 0.0093
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0175 0.0261
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0387 0.0577
Brugia malayi steroid hormone receptor 0.002 0.0175 0.0261
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0175 0.0093
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0175 0.0044
Brugia malayi ecdysteroid receptor 0.002 0.0175 0.0261
Brugia malayi Cytochrome P450 family protein 0.0037 0.069 0.1028
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0273 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0146 0.4047 0.3967
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0175 0.0261
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0175 0.0261
Loa Loa (eye worm) hypothetical protein 0.002 0.0175 0.0261
Onchocerca volvulus 0.005 0.1082 0.4688
Schistosoma mansoni thyroid hormone receptor 0.0146 0.4047 0.845
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0037 0.069 0.1028
Echinococcus multilocularis geminin 0.0169 0.4765 0.4695
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0273 1
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0175 0.0261
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0037 0.069 0.1206
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0387 0.0577
Loa Loa (eye worm) hypothetical protein 0.002 0.0175 0.0261
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0273 0.5
Schistosoma mansoni lamin 0.0027 0.0387 0.0551
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0037 0.069 1
Echinococcus granulosus intermediate filament protein 0.0027 0.0387 0.0259
Loa Loa (eye worm) hypothetical protein 0.0027 0.0387 0.0577
Schistosoma mansoni thyroid hormone receptor 0.0146 0.4047 0.845
Loa Loa (eye worm) cytochrome P450 family protein 0.0037 0.069 0.1028
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0037 0.069 1
Echinococcus multilocularis lamin 0.0027 0.0387 0.0259
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0126 0.3425 0.3337
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0175 0.0044
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0175 0.0261
Loa Loa (eye worm) hypothetical protein 0.0083 0.211 0.3143
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0175 0.0093
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0273 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0175 0.0044
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0175 0.0044
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0037 0.069 0.0566
Echinococcus granulosus FTZ F1 alpha 0.002 0.0175 0.0044
Trypanosoma brucei cytochrome P450, putative 0.0037 0.069 0.9995
Schistosoma mansoni jun-related protein 0.0068 0.1652 0.3282
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.211 0.3143
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0273 0.252
Loa Loa (eye worm) hypothetical protein 0.0026 0.0363 0.0541
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0084 0.2136 0.2031
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0175 0.0093
Brugia malayi bZIP transcription factor family protein 0.0084 0.2136 0.3182
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0175 0.0044
Loa Loa (eye worm) cytochrome P450 family protein 0.0037 0.069 0.1028
Echinococcus granulosus lamin dm0 0.0027 0.0387 0.0259
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0175 0.0261
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0175 0.0093
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0037 0.069 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0273 1
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0175 0.0261
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0037 0.069 0.0566
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0233 0.6714 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.211 0.2005
Schistosoma mansoni hypothetical protein 0.0169 0.4765 1
Leishmania major cytochrome p450-like protein 0.0037 0.069 0.9995

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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