Detailed information for compound 809123

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 426.595 | Formula: C25H38N4O2
  • H donors: 1 H acceptors: 2 LogP: 3.12 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nn(c(c1)C(=O)NCC1CCC2(O1)CCN(CC2)CC1=CC[C@@H]2C[C@@H]1C2(C)C)C
  • InChi: 1S/C25H38N4O2/c1-17-13-22(28(4)27-17)23(30)26-15-20-7-8-25(31-20)9-11-29(12-10-25)16-18-5-6-19-14-21(18)24(19,2)3/h5,13,19-21H,6-12,14-16H2,1-4H3,(H,26,30)/t19-,20?,21-/m0/s1
  • InChiKey: MSGWIQIYXCSWLC-YSTUSHMSSA-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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0058 0.0008 0.0204
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 1.3857 0.3796 0.5
Schistosoma mansoni hypothetical protein 0.0286 0.0071 0.1675
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0058 0.0008 0.0204
Echinococcus multilocularis tumor protein p63 0.0246 0.006 0.1452
Schistosoma mansoni inositol 145-trisphosphate receptor 0.004 0.0003 0.0027
Echinococcus multilocularis NADH ubiquinone oxidoreductase 42 kDa subunit 0.0062 0.0009 0.023
Echinococcus granulosus thymidine kinase 0.0276 0.0068 0.1656
Echinococcus multilocularis neuropeptide receptor A26 0.0316 0.0079 0.1921
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0058 0.0008 0.0059
Loa Loa (eye worm) MH2 domain-containing protein 0.0148 0.0033 0.0756
Schistosoma mansoni NADH-ubiquinone oxidoreductase 0.0062 0.0009 0.0173
Echinococcus granulosus tumor protein p63 0.0246 0.006 0.1452
Entamoeba histolytica hypothetical protein 0.0062 0.0009 0.0058
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 3.6456 1 0.5
Echinococcus multilocularis geminin 0.0286 0.0071 0.1723
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0058 0.0008 0.0204
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1433 0.0386 0.9351
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 1.3857 0.3796 0.5
Brugia malayi cation channel family protein 0.0075 0.0013 0.0176
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.153 0.0413 1
Giardia lamblia Thymidine kinase 0.022 0.0053 0.1074
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 3.6456 1 1
Brugia malayi RNA, U transporter 1 0.0062 0.0009 0.0085
Trypanosoma cruzi thymidine kinase, putative 0.022 0.0053 0.1197
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.153 0.0413 1
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.153 0.0413 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0002 0.0005
Echinococcus granulosus neuropeptide s receptor 0.0316 0.0079 0.1921
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.153 0.0413 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0003 0.0032
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.1021 0.0273 0.0203
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.153 0.0413 1
Trypanosoma brucei thymidine kinase 0.022 0.0053 0.1197
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.153 0.0413 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0005 0.0079
Trichomonas vaginalis thymidine kinase, putative 0.022 0.0053 0.1074
Schistosoma mansoni hypothetical protein 0.0053 0.0007 0.0116
Echinococcus granulosus geminin 0.0286 0.0071 0.1723
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0061 0.0009 0.0169
Trichomonas vaginalis thymidine kinase, putative 0.022 0.0053 0.1074
Entamoeba histolytica hypothetical protein 0.0062 0.0009 0.0058
Echinococcus multilocularis snurportin 1 0.0232 0.0056 0.1361
Echinococcus multilocularis transfer RNA-Ile 0.0276 0.0068 0.1656
Entamoeba histolytica hypothetical protein 0.0062 0.0009 0.0058
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0058 0.0008 0.0152
Onchocerca volvulus 0.153 0.0413 1
Echinococcus granulosus snurportin 1 0.0232 0.0056 0.1361
Entamoeba histolytica hypothetical protein 0.0062 0.0009 0.0058
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.153 0.0413 0.5
Echinococcus multilocularis thymidine phosphorylase 0.1021 0.0273 0.661
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0053 0.0007 0.0173
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.153 0.0413 1
Echinococcus granulosus ryanodine receptor 44f 0.0035 0.0002 0.0052
Entamoeba histolytica hypothetical protein 0.0062 0.0009 0.0058
Entamoeba histolytica hypothetical protein 0.0062 0.0009 0.0058
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0232 0.0056 0.1315
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.153 0.0413 1
Brugia malayi Deoxynucleoside kinase family protein 0.0062 0.0009 0.0085
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.153 0.0413 1
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.153 0.0413 1
Schistosoma mansoni hypothetical protein 0.0232 0.0056 0.1311
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 3.6456 1 1
Echinococcus multilocularis thymidine kinase 0.0276 0.0068 0.1656
Trichomonas vaginalis thymidine kinase, putative 0.022 0.0053 0.1074
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.0276 0.0068 0.1656
Loa Loa (eye worm) hypothetical protein 0.153 0.0413 1
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.153 0.0413 1
Echinococcus granulosus thymidine phosphorylase 0.1021 0.0273 0.661
Entamoeba histolytica hypothetical protein 0.0062 0.0009 0.0058
Echinococcus multilocularis thymidine kinase 0.0276 0.0068 0.1656
Leishmania major thymidine kinase, putative 0.022 0.0053 0.1274
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0058 0.0008 0.0147
Echinococcus granulosus NADH ubiquinone oxidoreductase 42 kDa subunit 0.0062 0.0009 0.023
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.153 0.0413 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0058 0.0008 0.0147
Mycobacterium ulcerans undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe 0.153 0.0413 0.0343
Entamoeba histolytica hypothetical protein 0.0062 0.0009 0.0058
Trypanosoma cruzi thymidine kinase, putative 0.022 0.0053 0.1197
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0053 0.0007 0.0173
Echinococcus granulosus thymidine kinase 0.0276 0.0068 0.1656
Loa Loa (eye worm) deoxynucleoside kinase 0.0062 0.0009 0.0178
Loa Loa (eye worm) transcription factor SMAD2 0.0148 0.0033 0.0756
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0062 0.0009 0.0058
Echinococcus multilocularis neuropeptide s receptor 0.0316 0.0079 0.1921
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0062 0.0009 0.0058
Loa Loa (eye worm) hypothetical protein 0.0048 0.0006 0.0085
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.153 0.0413 1
Brugia malayi hypothetical protein 0.0053 0.0007 0.0027
Mycobacterium ulcerans thymidine phosphorylase 0.1021 0.0273 0.0203
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0058 0.0008 0.0147
Schistosoma mansoni transcription factor LCR-F1 0.0053 0.0007 0.0116
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.153 0.0413 1
Echinococcus multilocularis ryanodine receptor 44f 0.0035 0.0002 0.0052
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0062 0.0009 0.0058
Brugia malayi MH2 domain containing protein 0.0148 0.0033 0.0669
Schistosoma mansoni hypothetical protein 0.0286 0.0071 0.1675
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0058 0.0008 0.0204
Echinococcus granulosus neuropeptide receptor A26 0.0316 0.0079 0.1921
Schistosoma mansoni thymidine kinase 0.0276 0.0068 0.1608
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0062 0.0009 0.0058
Entamoeba histolytica hypothetical protein 0.0062 0.0009 0.0058
Entamoeba histolytica thymidine kinase, putative 0.022 0.0053 0.1127
Schistosoma mansoni ryanodine receptor related 0.0049 0.0006 0.0089

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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