Detailed information for compound 1721195

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 565.659 | Formula: C34H35N3O5
  • H donors: 3 H acceptors: 4 LogP: 5.93 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(c1ccc2c(c1)n(C)c(c2C1CCCC1)c1ccoc1)NC1(CCC1)C(=O)Nc1ccc(cc1)/C=C(/C(=O)O)\C
  • InChi: 1S/C34H35N3O5/c1-21(32(39)40)18-22-8-11-26(12-9-22)35-33(41)34(15-5-16-34)36-31(38)24-10-13-27-28(19-24)37(2)30(25-14-17-42-20-25)29(27)23-6-3-4-7-23/h8-14,17-20,23H,3-7,15-16H2,1-2H3,(H,35,41)(H,36,38)(H,39,40)/b21-18+
  • InChiKey: WVNOHJJUUVJAQM-DYTRJAOYSA-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
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0036 0.0287 0.079
Echinococcus multilocularis chromobox protein 1 0.0068 0.1307 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0355 0.0265
Brugia malayi Nuclear hormone receptor-like 1 0.0036 0.0287 0.0089
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0447 0.0358
Loa Loa (eye worm) hypothetical protein 0.0036 0.0287 0.0197
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0563 0.3277
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.0287 0.0089
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.1307 0.1226
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0151 0.3968 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.069 0.0501
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0036 0.0287 0.079
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0036 0.0287 0.0197
Echinococcus granulosus mucolipin 3 0.0064 0.1168 0.864
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0563 0.0475
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.0287 0.0089
Trichomonas vaginalis chromobox protein, putative 0.0068 0.1307 0.3294
Loa Loa (eye worm) hypothetical protein 0.0036 0.0287 0.0197
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0447 0.1126
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0151 0.3968 0.5
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0151 0.3968 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0036 0.0287 0.0089
Echinococcus granulosus chromobox protein 1 0.0068 0.1307 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0036 0.0287 0.0197
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0036 0.0287 0.0089
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0036 0.0287 0.0089
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0447 0.1126
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0036 0.0287 0.079
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0151 0.3968 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0563 0.2701
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0151 0.3968 0.5
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0151 0.3968 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0563 0.2701
Echinococcus multilocularis mucolipin 3 0.0064 0.1168 0.864
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0036 0.0287 0.0089
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.0287 0.0089
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0355 0.0894
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0151 0.3968 0.5
Echinococcus multilocularis chromobox protein 1 0.0068 0.1307 1
Loa Loa (eye worm) steroid hormone receptor 0.0036 0.0287 0.0197
Schistosoma mansoni mucolipin 0.0058 0.0999 0.7215
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0151 0.3968 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.0287 0.0089
Brugia malayi nuclear receptor NHR-88 0.0036 0.0287 0.0089
Loa Loa (eye worm) hypothetical protein 0.0036 0.0287 0.0197
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0563 0.037
Schistosoma mansoni thyroid hormone receptor 0.0036 0.0287 0.079
Schistosoma mansoni coup transcription factor 0.0036 0.0287 0.079
Brugia malayi chromobox protein homolog 3 0.0038 0.0355 0.0158
Schistosoma mansoni thyroid hormone receptor 0.0036 0.0287 0.079
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0036 0.0287 0.0197
Brugia malayi Steroid receptor seven-up type 2 0.0036 0.0287 0.0089
Echinococcus granulosus chromobox protein 1 0.0068 0.1307 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0036 0.0287 0.0089
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0036 0.0287 0.079
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.069 0.0501
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0036 0.0287 0.0089
Brugia malayi nuclear hormone receptor 0.0036 0.0287 0.0089
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0036 0.0287 0.0197
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0563 0.3277
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.069 0.0604
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0036 0.0287 0.0089
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0036 0.0287 0.0197
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.0287 0.0089
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0036 0.0287 0.0089
Loa Loa (eye worm) hypothetical protein 0.0036 0.0287 0.0197
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0355 0.0265
Loa Loa (eye worm) hypothetical protein 0.0036 0.0287 0.0197
Schistosoma mansoni retinoic acid receptor RXR 0.0036 0.0287 0.079
Brugia malayi steroid hormone receptor 0.0036 0.0287 0.0089
Schistosoma mansoni chromobox protein 0.0068 0.1307 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0036 0.0287 0.0197
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0151 0.3968 0.3845
Loa Loa (eye worm) hypothetical protein 0.0151 0.3968 0.3911
Schistosoma mansoni mucolipin 0.0064 0.1168 0.8747
Loa Loa (eye worm) hypothetical protein 0.0036 0.0287 0.0197
Loa Loa (eye worm) hypothetical protein 0.0033 0.02 0.0109
Brugia malayi Coelomocyte uptake defective protein 5 0.0064 0.1168 0.0988
Trichomonas vaginalis chromobox protein, putative 0.0068 0.1307 0.3294
Loa Loa (eye worm) hypothetical protein 0.0341 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0563 0.2701
Schistosoma mansoni steroid hormone receptor ad4bp 0.0036 0.0287 0.079
Schistosoma mansoni nuclear hormone receptor 0.0036 0.0287 0.079
Schistosoma mansoni chromobox protein 0.0068 0.1307 1
Onchocerca volvulus Bile acid receptor homolog 0.0341 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0036 0.0287 0.079
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0563 0.2701
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0036 0.0287 0.079
Loa Loa (eye worm) mucolipin 1 0.0064 0.1168 0.1086
Brugia malayi Heterochromatin protein 1 0.0068 0.1307 0.113
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0036 0.0287 0.0197
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.0287 0.0089
Loa Loa (eye worm) hypothetical protein 0.0049 0.069 0.0604
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0151 0.3968 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0036 0.0287 0.079
Onchocerca volvulus 0.0036 0.0287 0.0197
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0563 0.3277
Onchocerca volvulus Protein ultraspiracle homolog 0.0036 0.0287 0.0197
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0355 0.0894
Loa Loa (eye worm) hypothetical protein 0.0036 0.0287 0.0197
Mycobacterium ulcerans hypothetical protein 0.0151 0.3968 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0036 0.0287 0.0197

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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