Detailed information for compound 1149880

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 255.358 | Formula: C16H21N3
  • H donors: 0 H acceptors: 1 LogP: 2.5 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCc2c(C1)c(nn2C(C)C)c1ccccc1
  • InChi: 1S/C16H21N3/c1-12(2)19-15-9-10-18(3)11-14(15)16(17-19)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3
  • InChiKey: FYIVNLSPDXWVSW-UHFFFAOYSA-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
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0 0.5
Echinococcus granulosus geminin 0.0357 0.1341 0.7261
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.2423 1 1
Trichomonas vaginalis esterase, putative 0.0037 0 0.5
Brugia malayi TAR-binding protein 0.0063 0.0107 0.0579
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0107 0.0579
Toxoplasma gondii 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.2423 1 1
Schistosoma mansoni hypothetical protein 0.0287 0.1046 0.7803
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0042 0.0314
Echinococcus multilocularis geminin 0.0357 0.1341 0.7261
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0042 0.0228
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0042 0.1665
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0069 0.0518
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0042 0.0314
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0107 0.0797
Schistosoma mansoni survival motor neuron protein 0.0097 0.0253 0.1885
Loa Loa (eye worm) RNA binding protein 0.0063 0.0107 0.0579
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0042 0.0314
Onchocerca volvulus 0.0097 0.0253 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0042 0.0228
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0042 0.0314
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0042 0.0228
Brugia malayi mbt repeat family protein 0.0047 0.0042 0.0228
Loa Loa (eye worm) MBCTL1 0.0054 0.0069 0.0376
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0063 0.0107 0.0579
Echinococcus multilocularis survival motor neuron protein 1 0.0478 0.1847 1
Brugia malayi hypothetical protein 0.0478 0.1847 1
Schistosoma mansoni hypothetical protein 0.0304 0.112 0.8355
Brugia malayi mbt repeat family protein 0.0047 0.0042 0.0228
Onchocerca volvulus 0.0047 0.0042 0.1665
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0107 0.0797
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0069 0.0376
Brugia malayi RNA, U transporter 1 0.0081 0.0184 0.0998
Echinococcus granulosus snurportin 1 0.0304 0.112 0.6066
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0042 0.0314
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0107 0.0797
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0107 0.0579
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0042 0.0314
Brugia malayi RNA binding protein 0.0063 0.0107 0.0579
Trypanosoma brucei hypothetical protein, conserved 0.0037 0 0.5
Mycobacterium ulcerans 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.2423 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0 0.5
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS 0.2423 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0 0.5
Treponema pallidum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.2423 1 0.5
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0186 0.0624 0.3376
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0069 0.0376
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0069 0.0376
Echinococcus granulosus survival motor neuron protein 1 0.0478 0.1847 1
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0107 0.0579
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0042 0.0228
Loa Loa (eye worm) hypothetical protein 0.0478 0.1847 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0 0.5
Leishmania major hypothetical protein, conserved 0.0037 0 0.5
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.2423 1 0.5
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0042 0.0228
Loa Loa (eye worm) hypothetical protein 0.0054 0.0069 0.0376
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0 0.5
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0042 0.0228
Schistosoma mansoni hypothetical protein 0.0357 0.1341 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0042 0.0228
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0186 0.0624 0.3376
Wolbachia endosymbiont of Brugia malayi 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.2423 1 0.5
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0069 0.0376
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0107 0.0579
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0097 0.0253 0.1369
Schistosoma mansoni hypothetical protein 0.0357 0.1341 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0237 0.0839 0.3668
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0069 0.0376
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0042 0.0228
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0304 0.112 0.6066
Echinococcus multilocularis snurportin 1 0.0304 0.112 0.6066
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0042 0.0228
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0042 0.0228
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0042 0.0228
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0042 0.0228
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0 0.5
Schistosoma mansoni hypothetical protein 0.0097 0.0253 0.1885
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0107 0.0797
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0107 0.0797
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras 0.0583 0.2287 1

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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