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
Chlamydia trachomatis phenylalanine--tRNA ligase subunit beta 0.0039 0.2241 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0015 0.0484 0.0484
Plasmodium falciparum tyrosine--tRNA ligase 0.005 0.3056 1
Trypanosoma cruzi tyrosyl-tRNA synthetase, putative 0.005 0.3056 1
Schistosoma mansoni tar DNA-binding protein 0.0034 0.1889 0.1822
Brugia malayi hypothetical protein 0.0009 0.0082 0.0082
Loa Loa (eye worm) pregnancy-associated plasma protein-E 0.0009 0.0082 0.0082
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0016 0.0595 0.0517
Plasmodium vivax heat shock protein 86, putative 0.0018 0.0697 0.2069
Loa Loa (eye worm) hypothetical protein 0.0015 0.0484 0.0484
Brugia malayi hypothetical protein 0.0009 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.001 0.0154 0.0154
Trypanosoma cruzi heat shock protein 85, putative 0.0018 0.0697 0.179
Brugia malayi hypothetical protein 0.0009 0.0082 0.0082
Plasmodium vivax endoplasmin, putative 0.0018 0.0697 0.2069
Schistosoma mansoni hypothetical protein 0.0026 0.1305 0.1233
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Trypanosoma cruzi heat shock protein 85, putative 0.0018 0.0697 0.179
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0016 0.0595 0.1725
Echinococcus multilocularis survival motor neuron protein 1 0.0127 0.8575 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0082 0.0082
Brugia malayi Pre-SET motif family protein 0.0016 0.0595 0.0595
Echinococcus granulosus survival motor neuron protein 1 0.0127 0.8575 1
Toxoplasma gondii heat shock protein HSP90 0.0018 0.0697 0.2069
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.2241 0.2073
Brugia malayi RNA recognition motif domain containing protein 0.0034 0.1889 0.1889
Loa Loa (eye worm) RNA binding protein 0.0034 0.1889 0.1889
Echinococcus granulosus endoplasmin 0.0014 0.0442 0.0424
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0112 0.748 0.748
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, beta chain PheT 0.0039 0.2241 1
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
Loa Loa (eye worm) hypothetical protein 0.0009 0.0082 0.0082
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0016 0.0595 0.0604
Plasmodium falciparum endoplasmin, putative 0.0011 0.0212 0.0438
Schistosoma mansoni endoplasmin 0.0018 0.0697 0.0621
Brugia malayi hypothetical protein 0.0127 0.8575 0.8575
Leishmania major tyrosyl-tRNA synthetase, putative 0.005 0.3056 1
Loa Loa (eye worm) multisynthetase complex auxiliary component p43 0.0039 0.2241 0.2241
Echinococcus multilocularis lamin dm0 0.0015 0.0484 0.0473
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0015 0.0484 0.0484
Giardia lamblia Methionyl-tRNA synthetase 0.0039 0.2241 0.6883
Trichomonas vaginalis heat shock protein, putative 0.0018 0.0697 0.0496
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0016 0.0595 0.0517
Loa Loa (eye worm) intermediate filament protein 0.0015 0.0484 0.0484
Echinococcus multilocularis heat shock protein 90 0.0018 0.0697 0.0725
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit beta 0.0039 0.2241 1
Schistosoma mansoni endoplasmin 0.0018 0.0697 0.0621
Trypanosoma brucei tyrosyl-tRNA synthetase, putative 0.005 0.3056 1
Plasmodium vivax methionine-tRNA ligase, putative 0.0039 0.2241 0.726
Echinococcus granulosus intermediate filament protein 0.0015 0.0484 0.0473
Echinococcus multilocularis tyrosyl tRNA synthetase 0.009 0.5855 0.6797
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Loa Loa (eye worm) endoplasmin 0.0018 0.0697 0.0697
Trichomonas vaginalis methionyl-tRNA synthetase, putative 0.0039 0.2241 0.2073
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Toxoplasma gondii tRNA synthetases class I family protein 0.005 0.3056 1
Leishmania major hypothetical protein 0.0039 0.2241 0.6883
Trypanosoma cruzi Heat shock protein 83, putative 0.0018 0.0697 0.179
Toxoplasma gondii methionyl-tRNA synthetase 0.0039 0.2241 0.726
Toxoplasma gondii heat shock protein 90, putative 0.0018 0.0697 0.2069
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Mycobacterium ulcerans glutaminase 0.0147 1 1
Echinococcus multilocularis heat shock protein 0.0018 0.0697 0.0725
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit beta 0.0039 0.2241 0.1883
Trypanosoma cruzi tyrosyl or methionyl-tRNA synthetase, putative 0.0039 0.2241 0.7164
Onchocerca volvulus 0.0128 0.8591 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0016 0.0595 0.0604
Brugia malayi hypothetical protein 0.0009 0.0082 0.0082
Entamoeba histolytica tyrosyl-tRNA synthetase, putative 0.005 0.3056 1
Brugia malayi Endoplasmin precursor 0.0018 0.0697 0.0697
Loa Loa (eye worm) hypothetical protein 0.0011 0.023 0.023
Echinococcus multilocularis musashi 0.0015 0.0484 0.0473
Trypanosoma cruzi tyrosyl or methionyl-tRNA synthetase, putative 0.0039 0.2241 0.7164
Trichomonas vaginalis glutaminase, putative 0.0147 1 1
Schistosoma mansoni lamin 0.0015 0.0484 0.0405
Echinococcus multilocularis lamin 0.0015 0.0484 0.0473
Brugia malayi GCC2 and GCC3 family protein 0.0011 0.023 0.023
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0016 0.0553 0.0554
Schistosoma mansoni tar DNA-binding protein 0.0034 0.1889 0.1822
Onchocerca volvulus 0.0016 0.0595 0.0603
Trichomonas vaginalis heat shock protein, putative 0.0014 0.0442 0.0235
Echinococcus granulosus histone lysine methyltransferase setb 0.0016 0.0595 0.0604
Schistosoma mansoni heat shock protein 0.0018 0.0697 0.0621
Schistosoma mansoni lamin 0.0015 0.0484 0.0405
Echinococcus multilocularis tar DNA binding protein 0.0034 0.1889 0.2127
Trypanosoma brucei tyrosyl-tRNA synthetase, putative 0.0039 0.2241 0.6545
Trypanosoma cruzi heat shock protein 85, putative 0.0014 0.0442 0.0901
Trichomonas vaginalis heat shock protein, putative 0.0014 0.0442 0.0235
Loa Loa (eye worm) hypothetical protein 0.0014 0.0465 0.0465
Trypanosoma cruzi heat shock protein 90, putative 0.0018 0.0697 0.179
Plasmodium vivax SET domain protein, putative 0.0016 0.0595 0.1725
Onchocerca volvulus 0.0015 0.0484 0.0472
Schistosoma mansoni tar DNA-binding protein 0.0034 0.1889 0.1822
Entamoeba histolytica hypothetical protein 0.0039 0.2241 0.6545
Giardia lamblia Tyrosyl-tRNA synthetase 0.005 0.3056 1
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 tar DNA-binding protein 0.0034 0.1889 0.1822
Brugia malayi Sushi domain 0.0009 0.0082 0.0082
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Brugia malayi hypothetical protein 0.0009 0.0082 0.0082
Plasmodium falciparum heat shock protein 90 0.0018 0.0697 0.2069
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.2241 0.2073
Loa Loa (eye worm) hypothetical protein 0.0016 0.0595 0.0595
Echinococcus multilocularis endoplasmin 0.0014 0.0442 0.0424
Plasmodium falciparum tRNA import protein tRIP 0.0039 0.2241 0.726
Loa Loa (eye worm) glutaminase 0.0147 1 1
Brugia malayi hypothetical protein 0.0009 0.0082 0.0082
Trichomonas vaginalis heat shock protein, putative 0.0014 0.0442 0.0235
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.2241 0.7164
Plasmodium vivax tyrosine--tRNA ligase, putative 0.005 0.3056 1
Loa Loa (eye worm) hypothetical protein 0.0127 0.8575 0.8575
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Schistosoma mansoni intermediate filament proteins 0.0015 0.0484 0.0405
Entamoeba histolytica hypothetical protein 0.0039 0.2241 0.6545
Echinococcus granulosus heat shock protein 0.0018 0.0697 0.0725
Brugia malayi methionyl-tRNA synthetase 0.0039 0.2241 0.2241
Loa Loa (eye worm) hypothetical protein 0.0009 0.0082 0.0082
Schistosoma mansoni glutaminase 0.0147 1 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0014 0.0442 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.2241 0.7164
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0014 0.0442 0.0424
Toxoplasma gondii tRNA binding domain-containing protein 0.0039 0.2241 0.726
Echinococcus granulosus lamin 0.0015 0.0484 0.0473
Echinococcus multilocularis aminoacyl tRNA synthase complex interacting 0.0039 0.2241 0.2542
Loa Loa (eye worm) heat shock protein 90 0.0018 0.0697 0.0697
Schistosoma mansoni methionyl-tRNA synthetase 0.0039 0.2241 0.2177
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0016 0.0595 0.0517
Trypanosoma cruzi heat shock protein 85, putative 0.0018 0.0697 0.179
Treponema pallidum methionyl-tRNA synthetase 0.0039 0.2241 1
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Leishmania major tyrosyl or methionyl-tRNA synthetase-like protein 0.0039 0.2241 0.6883
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
Echinococcus granulosus tyrosyl tRNA synthetase 0.009 0.5855 0.6797
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Schistosoma mansoni survival motor neuron protein 0.0026 0.1305 0.1233
Echinococcus granulosus heat shock protein 90 0.0018 0.0697 0.0725
Brugia malayi TAR-binding protein 0.0034 0.1889 0.1889
Loa Loa (eye worm) TAR-binding protein 0.0034 0.1889 0.1889
Brugia malayi RNA binding protein 0.0034 0.1889 0.1889
Echinococcus granulosus lamin dm0 0.0015 0.0484 0.0473
Echinococcus granulosus tar DNA binding protein 0.0034 0.1889 0.2127
Brugia malayi glutaminase DH11.1 0.0147 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0016 0.0595 0.0517
Echinococcus multilocularis heat shock protein 90 0.0014 0.0442 0.0424
Loa Loa (eye worm) hypothetical protein 0.0009 0.0082 0.0082
Brugia malayi Pre-SET motif family protein 0.0112 0.748 0.748
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.2241 0.2073
Echinococcus granulosus heat shock protein 90 0.0014 0.0442 0.0424
Loa Loa (eye worm) hypothetical protein 0.0009 0.0082 0.0082
Trichomonas vaginalis isoleucyl, leucyl, tyrosyl, valyl and methionyl-tRNA synthetases, putative 0.005 0.3056 0.2906
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Toxoplasma gondii rhoptry neck protein RON9 0.0009 0.0082 0.00000016238
Brugia malayi heat shock protein 90 0.0018 0.0697 0.0697
Trypanosoma cruzi heat shock protein 90, putative 0.0014 0.0442 0.0901
Onchocerca volvulus 0.0026 0.1305 0.1437
Trypanosoma brucei tyrosyl/methionyl-tRNA synthetase, putative 0.0039 0.2241 0.6545
Brugia malayi hypothetical protein 0.0009 0.0082 0.0082
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0026 0.1305 0.1305
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Giardia lamblia Heat shock protein HSP 90-alpha 0.0018 0.0697 0.0978
Leishmania major hypothetical protein, conserved 0.0039 0.2241 0.6883
Echinococcus granulosus aminoacyl tRNA synthase complex interacting 0.0039 0.2241 0.2542
Trichomonas vaginalis set domain proteins, putative 0.0128 0.8591 0.856
Loa Loa (eye worm) hypothetical protein 0.0009 0.0082 0.0082
Brugia malayi pregnancy-associated plasma protein-A 0.0009 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.0009 0.0082 0.0082
Onchocerca volvulus 0.0015 0.0484 0.0472
Schistosoma mansoni heat shock protein 0.0018 0.0697 0.0621
Schistosoma mansoni tyrosyl-tRNA synthetase 0.009 0.5855 0.5821
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0039 0.2241 0.6545
Brugia malayi intermediate filament protein 0.0015 0.0484 0.0484
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.2241 0.2073
Leishmania major heat shock protein 83-1 0.0018 0.0697 0.0978
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0034 0.1889 0.1889

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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