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
Schistosoma mansoni hypothetical protein 0.0097 0.0253 0.1885
Loa Loa (eye worm) hypothetical protein 0.0478 0.1847 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0 0.5
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0304 0.112 0.6066
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0107 0.0579
Echinococcus granulosus snurportin 1 0.0304 0.112 0.6066
Trypanosoma brucei hypothetical protein, conserved 0.0037 0 0.5
Trichomonas vaginalis esterase, putative 0.0037 0 0.5
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0069 0.0518
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0107 0.0579
Loa Loa (eye worm) hypothetical protein 0.0054 0.0069 0.0376
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0042 0.0228
Loa Loa (eye worm) hypothetical protein 0.0047 0.0042 0.0228
Wolbachia endosymbiont of Brugia malayi 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.2423 1 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0097 0.0253 0.1369
Onchocerca volvulus 0.0047 0.0042 0.1665
Schistosoma mansoni hypothetical protein 0.0304 0.112 0.8355
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0042 0.0228
Schistosoma mansoni hypothetical protein 0.0357 0.1341 1
Brugia malayi hypothetical protein 0.0478 0.1847 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0069 0.0376
Brugia malayi RNA, U transporter 1 0.0081 0.0184 0.0998
Echinococcus granulosus geminin 0.0357 0.1341 0.7261
Mycobacterium ulcerans 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.2423 1 1
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0042 0.0314
Treponema pallidum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.2423 1 0.5
Brugia malayi mbt repeat family protein 0.0047 0.0042 0.0228
Mycobacterium tuberculosis Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras 0.0583 0.2287 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0042 0.0314
Brugia malayi TAR-binding protein 0.0063 0.0107 0.0579
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0042 0.0228
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0042 0.0228
Loa Loa (eye worm) MBCTL1 0.0054 0.0069 0.0376
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0 0.5
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0186 0.0624 0.3376
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0107 0.0579
Toxoplasma gondii 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.2423 1 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0107 0.0797
Plasmodium vivax 1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative 0.2423 1 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0069 0.0376
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
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0 0.5
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0069 0.0376
Leishmania major hypothetical protein, conserved 0.0037 0 0.5
Brugia malayi mbt repeat family protein 0.0047 0.0042 0.0228
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0107 0.0797
Echinococcus granulosus survival motor neuron protein 1 0.0478 0.1847 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0107 0.0579
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0042 0.1665
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0042 0.0314
Echinococcus granulosus tar DNA binding protein 0.0063 0.0107 0.0579
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0 0.5
Schistosoma mansoni survival motor neuron protein 0.0097 0.0253 0.1885
Schistosoma mansoni hypothetical protein 0.0357 0.1341 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0042 0.0228
Echinococcus multilocularis geminin 0.0357 0.1341 0.7261
Loa Loa (eye worm) RNA binding protein 0.0063 0.0107 0.0579
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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0042 0.0314
Mycobacterium leprae PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS 0.2423 1 1
Plasmodium falciparum 1-deoxy-D-xylulose 5-phosphate reductoisomerase 0.2423 1 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0107 0.0797
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0042 0.0228
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0237 0.0839 0.3668
Schistosoma mansoni hypothetical protein 0.0287 0.1046 0.7803
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0107 0.0797
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0 0.5
Onchocerca volvulus 0.0097 0.0253 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0042 0.0228
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0042 0.0228
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0107 0.0797
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0042 0.0228
Echinococcus multilocularis snurportin 1 0.0304 0.112 0.6066
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0069 0.0376
Echinococcus multilocularis survival motor neuron protein 1 0.0478 0.1847 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0186 0.0624 0.3376
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0042 0.0314
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0069 0.0376

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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