Detailed information for compound 1719500

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 619.753 | Formula: C37H41N5O4
  • H donors: 3 H acceptors: 5 LogP: 3.22 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CN1CCC(CC1)(NC(=O)c1ccc2c(c1)n(C)c(c2C1CCCC1)c1ccc(cn1)C)C(=O)Nc1ccc(cc1)/C=C/C(=O)O
  • InChi: 1S/C37H41N5O4/c1-24-8-16-30(38-23-24)34-33(26-6-4-5-7-26)29-15-12-27(22-31(29)42(34)3)35(45)40-37(18-20-41(2)21-19-37)36(46)39-28-13-9-25(10-14-28)11-17-32(43)44/h8-17,22-23,26H,4-7,18-21H2,1-3H3,(H,39,46)(H,40,45)(H,43,44)/b17-11+
  • InChiKey: CYFBJCFTYDXWSH-GZTJUZNOSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Echinococcus granulosus voltage dependent calcium channel subunit 0.0358 0.3741 1
Loa Loa (eye worm) calpain 0.0019 0.011 0.011
Echinococcus granulosus calpain 0.0019 0.011 0.0293
Loa Loa (eye worm) calpain family protein 1 0.0045 0.0388 0.0388
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0013 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0013 0.0013
Schistosoma mansoni calpain-7 (C02 family) 0.0019 0.011 0.0695
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0269 0.0269
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0013 0.0035
Onchocerca volvulus 0.001 0.0013 0.0013
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0013 0.0013
Schistosoma mansoni calpain C (C02 family) 0.0019 0.011 0.0695
Schistosoma mansoni hypothetical protein 0.0016 0.0073 0.0465
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0393 0.105
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0013 0.0035
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0013 0.0013
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0013 0.0035
Echinococcus granulosus calpain A 0.0067 0.0627 0.1676
Brugia malayi Cache domain containing protein 0.0072 0.0678 0.0678
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0013 0.0035
Loa Loa (eye worm) hypothetical protein 0.0064 0.0592 0.0592
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0013 0.0013
Plasmodium vivax calpain, putative 0.0019 0.011 0.5
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0943 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0013 0.0013
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0013 0.0083
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0013 0.0013
Echinococcus granulosus calpain A 0.0019 0.011 0.0293
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0437 0.0437
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0013 0.0013
Schistosoma mansoni hypothetical protein 0.0016 0.0073 0.0465
Loa Loa (eye worm) hypothetical protein 0.0064 0.0592 0.0592
Loa Loa (eye worm) hypothetical protein 0.0045 0.0388 0.0388
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0013 0.0035
Echinococcus multilocularis GPCR, family 2 0.0016 0.0073 0.0196
Echinococcus multilocularis calpain family protein 1, d 0.0045 0.0388 0.1036
Schistosoma mansoni coup transcription factor 0.001 0.0013 0.0083
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0067 0.0627 0.1676
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0013 0.0013
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0013 0.0083
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.018 0.183 0.183
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0013 0.0083
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0013 0.0013
Schistosoma mansoni thyroid hormone receptor 0.001 0.0013 0.0083
Brugia malayi calpain 5 0.0019 0.011 0.011
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0013 0.0013
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0013 0.0035
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0067 0.0627 0.1676
Loa Loa (eye worm) hypothetical protein 0.0016 0.0073 0.0073
Brugia malayi steroid hormone receptor 0.001 0.0013 0.0013
Brugia malayi calpain 7 0.0019 0.011 0.011
Schistosoma mansoni serine-rich repeat protein 0.0084 0.0806 0.5108
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0073 0.0196
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0943 1 0.5
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0073 0.0073
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0067 0.0627 0.3973
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0013 0.0035
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0013 0.0013
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0073 0.0073
Brugia malayi nuclear receptor NHR-88 0.001 0.0013 0.0013
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0013 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0013 0.0013
Schistosoma mansoni hypothetical protein 0.0016 0.0073 0.0465
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0943 1 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0943 1 1
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0079 0.0749 0.4744
Loa Loa (eye worm) calpain 5 0.0019 0.011 0.011
Brugia malayi calpain family protein 1 0.0064 0.0592 0.0592
Loa Loa (eye worm) hypothetical protein 0.001 0.0013 0.0013
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0013 0.0035
Brugia malayi ecdysteroid receptor 0.001 0.0013 0.0013
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0013 0.0035
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0393 0.105
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0013 0.0013
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0013 0.0083
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0393 0.0393
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0013 0.0013
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0073 0.0073
Echinococcus multilocularis calpain 5 0.0019 0.011 0.0293
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0393 0.2489
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0943 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0013 0.0013
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0943 1 1
Schistosoma mansoni nuclear hormone receptor 0.001 0.0013 0.0083
Brugia malayi nuclear hormone receptor 0.001 0.0013 0.0013
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0013 0.0083
Brugia malayi N-terminal motif family protein 0.018 0.183 0.183
Brugia malayi calpain family protein 1 0.0064 0.0592 0.0592
Loa Loa (eye worm) hypothetical protein 0.001 0.0013 0.0013
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0393 0.2489
Echinococcus multilocularis calpain 7 (C02 family) 0.0019 0.011 0.0293
Loa Loa (eye worm) hypothetical protein 0.001 0.0013 0.0013
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0013 0.0035
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0067 0.0627 0.3973
Toxoplasma gondii hypothetical protein 0.0009 0 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0013 0.0035
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0652 0.6888 0.5
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0064 0.0592 0.375
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0073 0.0196
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0393 0.2489
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0291 0.3017 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0393 0.105
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0013 0.0035
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0013 0.0035
Loa Loa (eye worm) hypothetical protein 0.001 0.0013 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0013 0.0013
Onchocerca volvulus 0.0943 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0291 0.3017 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0013 0.0013
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0156 0.1579 1
Echinococcus granulosus voltage dependent calcium channel subunit 0.0163 0.165 0.441
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0943 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0013 0.0083
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0013 0.0083
Loa Loa (eye worm) hypothetical protein 0.0034 0.0269 0.0269
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0393 0.0393
Schistosoma mansoni calpain-7 (C02 family) 0.0019 0.011 0.0695
Schistosoma mansoni Mername-AA248 (C02 family) 0.0019 0.011 0.0695
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0943 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0013 0.0013
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0358 0.3741 1
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0013 0.0083
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.018 0.183 0.183
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0073 0.0196
Echinococcus granulosus FTZ F1 alpha 0.001 0.0013 0.0035
Schistosoma mansoni hypothetical protein 0.0016 0.0073 0.0465
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0013 0.0083
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0163 0.165 0.441
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0073 0.0196
Loa Loa (eye worm) hypothetical protein 0.001 0.0013 0.0013
Echinococcus granulosus calpain 5 0.0019 0.011 0.0293
Trypanosoma cruzi hypothetical protein, conserved 0.0291 0.3017 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0013 0.0013
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0943 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0045 0.0388 0.0388
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0013 0.0013
Echinococcus granulosus calpain 7 C02 family 0.0019 0.011 0.0293
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0013 0.0035
Loa Loa (eye worm) hypothetical protein 0.001 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0072 0.0678 0.0678
Schistosoma mansoni thyroid hormone receptor 0.001 0.0013 0.0083
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0013 0.0013
Schistosoma mansoni calpain (C02 family) 0.0019 0.011 0.0695
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0013 0.0013
Echinococcus multilocularis hypothetical protein 0.0019 0.011 0.0293
Schistosoma mansoni hypothetical protein 0.0034 0.0269 0.1701
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0437 0.0437
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0013 0.0035
Echinococcus granulosus GPCR family 2 0.0016 0.0073 0.0196
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0013 0.0035
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0437 0.0437
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0013 0.0013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0013 0.0013
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0013 0.0013
Echinococcus multilocularis calpain A 0.0067 0.0627 0.1676
Onchocerca volvulus 0.0045 0.0388 0.0388
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0943 1 0.5
Schistosoma mansoni hypothetical protein 0.0084 0.0806 0.5108
Echinococcus multilocularis calpain 0.0019 0.011 0.0293
Loa Loa (eye worm) calpain family protein 1 0.0064 0.0592 0.0592
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0943 1 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0437 0.0437
Leishmania major hypothetical protein, conserved 0.0291 0.3017 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0013 0.0035
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0393 0.105

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.