Detailed information for compound 2074227

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 369.504 | Formula: C21H31N5O
  • H donors: 1 H acceptors: 2 LogP: 5.22 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCc1ccc(cc1)c1onc(n1)[C@@H]1CCCN1C(=N)N
  • InChi: 1S/C21H31N5O/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)20-24-19(25-27-20)18-10-8-15-26(18)21(22)23/h11-14,18H,2-10,15H2,1H3,(H3,22,23)/t18-/m0/s1
  • InChiKey: AIACWRPHUJSNPE-SFHVURJKSA-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
Brugia malayi Pre-SET motif family protein 0.0112 0.748 0.748
Plasmodium vivax SET domain protein, putative 0.0016 0.0595 0.1725
Loa Loa (eye worm) hypothetical protein 0.0009 0.0082 0.0082
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0039 0.2241 0.6545
Schistosoma mansoni endoplasmin 0.0018 0.0697 0.0621
Brugia malayi hypothetical protein 0.0009 0.0082 0.0082
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0016 0.0595 0.0517
Toxoplasma gondii methionyl-tRNA synthetase 0.0039 0.2241 0.726
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Echinococcus multilocularis lamin dm0 0.0015 0.0484 0.0473
Trichomonas vaginalis heat shock protein, putative 0.0014 0.0442 0.0235
Entamoeba histolytica hypothetical protein 0.0039 0.2241 0.6545
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Brugia malayi hypothetical protein 0.0009 0.0082 0.0082
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0014 0.0442 0.5
Leishmania major hypothetical protein, conserved 0.0039 0.2241 0.6883
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Schistosoma mansoni endoplasmin 0.0018 0.0697 0.0621
Echinococcus granulosus endoplasmin 0.0014 0.0442 0.0424
Echinococcus granulosus histone lysine methyltransferase setb 0.0016 0.0595 0.0604
Brugia malayi Intermediate filament tail domain containing protein 0.0015 0.0484 0.0484
Echinococcus granulosus survival motor neuron protein 1 0.0127 0.8575 1
Plasmodium falciparum heat shock protein 90 0.0018 0.0697 0.2069
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0026 0.1305 0.1305
Loa Loa (eye worm) multisynthetase complex auxiliary component p43 0.0039 0.2241 0.2241
Loa Loa (eye worm) hypothetical protein 0.0009 0.0082 0.0082
Trichomonas vaginalis heat shock protein, putative 0.0014 0.0442 0.0235
Trichomonas vaginalis heat shock protein, putative 0.0018 0.0697 0.0496
Echinococcus granulosus lamin dm0 0.0015 0.0484 0.0473
Brugia malayi Endoplasmin precursor 0.0018 0.0697 0.0697
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0112 0.748 0.748
Trypanosoma cruzi Heat shock protein 83, putative 0.0018 0.0697 0.179
Loa Loa (eye worm) hypothetical protein 0.0009 0.0082 0.0082
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Schistosoma mansoni tar DNA-binding protein 0.0034 0.1889 0.1822
Brugia malayi methionyl-tRNA synthetase 0.0039 0.2241 0.2241
Schistosoma mansoni heat shock protein 0.0018 0.0697 0.0621
Brugia malayi Pre-SET motif family protein 0.0016 0.0595 0.0595
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Schistosoma mansoni tyrosyl-tRNA synthetase 0.009 0.5855 0.5821
Plasmodium vivax methionine-tRNA ligase, putative 0.0039 0.2241 0.726
Trypanosoma cruzi tyrosyl or methionyl-tRNA synthetase, putative 0.0039 0.2241 0.7164
Toxoplasma gondii heat shock protein HSP90 0.0018 0.0697 0.2069
Loa Loa (eye worm) hypothetical protein 0.0015 0.0484 0.0484
Echinococcus granulosus tyrosyl tRNA synthetase 0.009 0.5855 0.6797
Treponema pallidum methionyl-tRNA synthetase 0.0039 0.2241 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0082 0.0082
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Echinococcus multilocularis endoplasmin 0.0014 0.0442 0.0424
Leishmania major hypothetical protein 0.0039 0.2241 0.6883
Schistosoma mansoni hypothetical protein 0.0026 0.1305 0.1233
Loa Loa (eye worm) pregnancy-associated plasma protein-E 0.0009 0.0082 0.0082
Onchocerca volvulus 0.0015 0.0484 0.0472
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0015 0.0484 0.0484
Schistosoma mansoni tar DNA-binding protein 0.0034 0.1889 0.1822
Echinococcus granulosus heat shock protein 90 0.0018 0.0697 0.0725
Echinococcus multilocularis heat shock protein 90 0.0018 0.0697 0.0725
Echinococcus granulosus lamin 0.0015 0.0484 0.0473
Trypanosoma cruzi heat shock protein 85, putative 0.0018 0.0697 0.179
Echinococcus multilocularis aminoacyl tRNA synthase complex interacting 0.0039 0.2241 0.2542
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0009 0.0082 0.0082
Brugia malayi hypothetical protein 0.0009 0.0082 0.0082
Echinococcus granulosus heat shock protein 0.0018 0.0697 0.0725
Trypanosoma cruzi heat shock protein 90, putative 0.0014 0.0442 0.0901
Loa Loa (eye worm) endoplasmin 0.0018 0.0697 0.0697
Plasmodium vivax endoplasmin, putative 0.0018 0.0697 0.2069
Plasmodium falciparum tRNA import protein tRIP 0.0039 0.2241 0.726
Schistosoma mansoni survival motor neuron protein 0.0026 0.1305 0.1233
Echinococcus multilocularis musashi 0.0015 0.0484 0.0473
Schistosoma mansoni intermediate filament proteins 0.0015 0.0484 0.0405
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Trypanosoma cruzi heat shock protein 85, putative 0.0014 0.0442 0.0901
Echinococcus granulosus aminoacyl tRNA synthase complex interacting 0.0039 0.2241 0.2542
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Onchocerca volvulus 0.0026 0.1305 0.1437
Giardia lamblia Methionyl-tRNA synthetase 0.0039 0.2241 0.6883
Chlamydia trachomatis phenylalanine--tRNA ligase subunit beta 0.0039 0.2241 0.5
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Trichomonas vaginalis set domain proteins, putative 0.0128 0.8591 0.856
Trypanosoma cruzi tyrosyl-tRNA synthetase, putative 0.005 0.3056 1
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.2241 0.7164
Echinococcus multilocularis heat shock protein 90 0.0014 0.0442 0.0424
Brugia malayi RNA recognition motif domain containing protein 0.0034 0.1889 0.1889
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0016 0.0595 0.0517
Trypanosoma cruzi tyrosyl or methionyl-tRNA synthetase, putative 0.0039 0.2241 0.7164
Loa Loa (eye worm) TAR-binding protein 0.0034 0.1889 0.1889
Brugia malayi TAR-binding protein 0.0034 0.1889 0.1889
Onchocerca volvulus 0.0128 0.8591 1
Onchocerca volvulus 0.0015 0.0484 0.0472
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0016 0.0595 0.1725
Echinococcus multilocularis lamin 0.0015 0.0484 0.0473
Echinococcus granulosus heat shock protein 90 0.0014 0.0442 0.0424
Trichomonas vaginalis heat shock protein, putative 0.0014 0.0442 0.0235
Trichomonas vaginalis glutaminase, putative 0.0147 1 1
Loa Loa (eye worm) RNA binding protein 0.0034 0.1889 0.1889
Echinococcus granulosus intermediate filament protein 0.0015 0.0484 0.0473
Leishmania major tyrosyl-tRNA synthetase, putative 0.005 0.3056 1
Toxoplasma gondii tRNA synthetases class I family protein 0.005 0.3056 1
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit beta 0.0039 0.2241 1
Toxoplasma gondii tRNA binding domain-containing protein 0.0039 0.2241 0.726
Echinococcus granulosus tar DNA binding protein 0.0034 0.1889 0.2127
Schistosoma mansoni tar DNA-binding protein 0.0034 0.1889 0.1822
Trichomonas vaginalis methionyl-tRNA synthetase, putative 0.0039 0.2241 0.2073
Brugia malayi hypothetical protein 0.0009 0.0082 0.0082
Giardia lamblia Tyrosyl-tRNA synthetase 0.005 0.3056 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0465 0.0465
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.2241 0.2073
Entamoeba histolytica tyrosyl-tRNA synthetase, putative 0.005 0.3056 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0034 0.1889 0.1889
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit beta 0.0039 0.2241 0.1883
Trypanosoma cruzi heat shock protein 85, putative 0.0018 0.0697 0.179
Echinococcus multilocularis heat shock protein 0.0018 0.0697 0.0725
Onchocerca volvulus 0.0016 0.0595 0.0603
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Schistosoma mansoni heat shock protein 0.0018 0.0697 0.0621
Trypanosoma brucei tyrosyl/methionyl-tRNA synthetase, putative 0.0039 0.2241 0.6545
Brugia malayi hypothetical protein 0.0009 0.0082 0.0082
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0016 0.0595 0.0517
Plasmodium vivax heat shock protein 86, putative 0.0018 0.0697 0.2069
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, beta chain PheT 0.0039 0.2241 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0016 0.0553 0.0554
Plasmodium falciparum endoplasmin, putative 0.0011 0.0212 0.0438
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Brugia malayi RNA binding protein 0.0034 0.1889 0.1889
Brugia malayi intermediate filament protein 0.0015 0.0484 0.0484
Toxoplasma gondii heat shock protein 90, putative 0.0018 0.0697 0.2069
Echinococcus multilocularis survival motor neuron protein 1 0.0127 0.8575 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0595 0.0595
Loa Loa (eye worm) intermediate filament protein 0.0015 0.0484 0.0484
Brugia malayi hypothetical protein 0.0009 0.0082 0.0082
Echinococcus multilocularis tyrosyl tRNA synthetase 0.009 0.5855 0.6797
Mycobacterium ulcerans glutaminase 0.0147 1 1
Schistosoma mansoni tar DNA-binding protein 0.0034 0.1889 0.1822
Loa Loa (eye worm) hypothetical protein 0.0009 0.0082 0.0082
Brugia malayi hypothetical protein 0.0127 0.8575 0.8575
Schistosoma mansoni glutaminase 0.0147 1 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0016 0.0595 0.0604
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0014 0.0442 0.0424
Trypanosoma brucei tyrosyl-tRNA synthetase, putative 0.0039 0.2241 0.6545
Loa Loa (eye worm) hypothetical protein 0.0009 0.0082 0.0082
Trypanosoma cruzi heat shock protein 90, putative 0.0018 0.0697 0.179
Brugia malayi GCC2 and GCC3 family protein 0.0011 0.023 0.023
Echinococcus multilocularis tar DNA binding protein 0.0034 0.1889 0.2127
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.2241 0.2073
Loa Loa (eye worm) glutaminase 0.0147 1 1
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Schistosoma mansoni methionyl-tRNA synthetase 0.0039 0.2241 0.2177
Plasmodium falciparum tyrosine--tRNA ligase 0.005 0.3056 1
Trypanosoma cruzi heat shock protein 85, putative 0.0018 0.0697 0.179
Brugia malayi glutaminase DH11.1 0.0147 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.2241 0.2073
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.2241 0.7164
Brugia malayi heat shock protein 90 0.0018 0.0697 0.0697
Schistosoma mansoni tar DNA-binding protein 0.0034 0.1889 0.1822
Loa Loa (eye worm) hypothetical protein 0.0127 0.8575 0.8575
Entamoeba histolytica hypothetical protein 0.0039 0.2241 0.6545
Schistosoma mansoni lamin 0.0015 0.0484 0.0405
Plasmodium vivax tyrosine--tRNA ligase, putative 0.005 0.3056 1
Toxoplasma gondii rhoptry neck protein RON9 0.0009 0.0082 0.00000016238
Loa Loa (eye worm) hypothetical protein 0.0011 0.023 0.023
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Trichomonas vaginalis isoleucyl, leucyl, tyrosyl, valyl and methionyl-tRNA synthetases, putative 0.005 0.3056 0.2906
Loa Loa (eye worm) heat shock protein 90 0.0018 0.0697 0.0697
Leishmania major tyrosyl or methionyl-tRNA synthetase-like protein 0.0039 0.2241 0.6883
Schistosoma mansoni lamin 0.0015 0.0484 0.0405
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0016 0.0595 0.0604
Brugia malayi Sushi domain 0.0009 0.0082 0.0082
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0016 0.0595 0.0517
Trypanosoma brucei tyrosyl-tRNA synthetase, putative 0.005 0.3056 1
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.2241 0.2073
Brugia malayi hypothetical protein 0.0009 0.0082 0.0082
Brugia malayi pregnancy-associated plasma protein-A 0.0009 0.0082 0.0082
Giardia lamblia Heat shock protein HSP 90-alpha 0.0018 0.0697 0.0978

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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