Detailed information for compound 1779229

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 369.462 | Formula: C23H23N5
  • H donors: 0 H acceptors: 2 LogP: 3.51 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)c1ccc(cc1)c1cnc2n(c1)ncc2c1ccccc1
  • InChi: 1S/C23H23N5/c1-26-11-13-27(14-12-26)21-9-7-18(8-10-21)20-15-24-23-22(16-25-28(23)17-20)19-5-3-2-4-6-19/h2-10,15-17H,11-14H2,1H3
  • InChiKey: CRGMZDXJWHXPDI-UHFFFAOYSA-N  

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 conserved hypothetical protein 0.0112 0.0153 0.5
Trypanosoma cruzi 5'-AMP-activated protein kinase subunit beta, putative 0.0068 0.0084 0.5
Echinococcus multilocularis calcium release activated calcium channel 0.6368 1 1
Schistosoma mansoni hypothetical protein 0.0764 0.1179 0.1179
Echinococcus granulosus stromal interaction molecule 1 0.1409 0.2195 0.2195
Schistosoma mansoni protein kinase 0.0278 0.0414 0.0414
Echinococcus multilocularis sterile alpha and tir motif containing protein 0.0112 0.0153 0.0148
Brugia malayi coiled-coil like protein 1 0.0112 0.0153 0.0069
Echinococcus multilocularis TGF beta receptor type 1 0.0278 0.0414 0.041
Loa Loa (eye worm) hypothetical protein 0.0018 0.0005 0.0005
Onchocerca volvulus Tyrosine kinase homolog 0.0171 0.0245 1
Schistosoma mansoni protein kinase subunit beta 0.0037 0.0035 0.0034
Brugia malayi hypothetical protein 0.0112 0.0153 0.0069
Echinococcus granulosus roundabout 2 0.0018 0.0005 0.0005
Echinococcus granulosus Sterile alpha motif SAM 0.0112 0.0153 0.0153
Brugia malayi bone morphogenetic protein type 1 receptor 0.0278 0.0415 0.0334
Loa Loa (eye worm) TKL/STKR/TYPE2 protein kinase 0.0148 0.0209 0.0209
Schistosoma mansoni hypothetical protein 0.0112 0.0153 0.0153
Echinococcus multilocularis SAM domain containing protein 0.0112 0.0153 0.0148
Brugia malayi protein C17H12.11 0.0147 0.0208 0.0125
Schistosoma mansoni hypothetical protein 0.0112 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.1409 0.2195 0.2195
Echinococcus multilocularis serine:threonine protein kinase receptor R3 0.0173 0.0249 0.0244
Echinococcus granulosus activin receptor type 0.0528 0.0808 0.0808
Loa Loa (eye worm) toll and interleukin 1 receptor domain-containing protein isoform f 0.0112 0.0153 0.0153
Plasmodium vivax tyrosine kinase-like protein, putative 0.0113 0.0155 0.5
Echinococcus multilocularis liprin beta 1 0.0112 0.0153 0.0148
Echinococcus granulosus calcium release activated calcium channel 0.6368 1 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.0153 0.0153
Schistosoma mansoni lip-related protein (liprin) alpha 0.0112 0.0153 0.0153
Trichomonas vaginalis c2h2 zinc finger protein, putative 0.0112 0.0153 0.5
Schistosoma mansoni hypothetical protein 0.0645 0.0993 0.0992
Echinococcus granulosus 5' AMP activated protein kinase subunit beta 1 0.0037 0.0035 0.0035
Plasmodium falciparum tyrosine kinase-like protein 0.0113 0.0155 0.5
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase 0.0148 0.0209 0.0209
Echinococcus multilocularis 5' AMP activated protein kinase subunit beta 1 0.0037 0.0035 0.003
Echinococcus multilocularis activin receptor type 0.0528 0.0808 0.0804
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0183 0.0264 0.0264
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.0153 0.5
Echinococcus multilocularis liprin alpha 2 0.0112 0.0153 0.0148
Brugia malayi sterile alpha and TIR motif containing protein 1 isoform a 0.0112 0.0153 0.0069
Brugia malayi Protein kinase domain containing protein 0.0148 0.0209 0.0126
Onchocerca volvulus 0.0167 0.0239 0.9649
Echinococcus granulosus liprin alpha 2 0.0112 0.0153 0.0153
Onchocerca volvulus 0.0112 0.0153 0.4703
Trypanosoma brucei 5'-AMP-activated protein kinase subunit beta 0.0068 0.0084 0.5
Echinococcus multilocularis tankyrase 0.0112 0.0153 0.0148
Loa Loa (eye worm) 5'-AMP-activated protein kinase 0.0068 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.6368 1 1
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase 0.0278 0.0415 0.0415
Echinococcus granulosus tankyrase 0.0112 0.0153 0.0153
Echinococcus multilocularis AMPK beta subunit 0.0068 0.0084 0.008
Echinococcus granulosus TGF beta receptor type 1 0.0278 0.0414 0.0414
Schistosoma mansoni hypothetical protein 0.0112 0.0153 0.0153
Schistosoma mansoni tankyrase 0.0112 0.0153 0.0153
Toxoplasma gondii Tyrosine kinase-like (TKL) protein 0.0112 0.0154 1
Echinococcus granulosus sterile alpha and tir motif containing protein 0.0112 0.0153 0.0153
Trypanosoma cruzi SNF1-related protein kinase regulatory subunit beta, putative 0.0068 0.0084 0.5
Loa Loa (eye worm) hypothetical protein 0.0112 0.0153 0.0153
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.0153 0.5
Giardia lamblia 5-AMP-activated protein kinase, beta-1 subunit 0.0068 0.0084 0.5
Loa Loa (eye worm) hypothetical protein 0.0112 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0147 0.0208 0.0208
Schistosoma mansoni protein kinase subunit beta 0.0068 0.0084 0.0084
Schistosoma mansoni lar interacting protein (lip)-related protein 0.0112 0.0153 0.0153
Echinococcus granulosus liprin beta 1 0.0112 0.0153 0.0153
Brugia malayi Liprin-alpha 2 0.0112 0.0153 0.0069
Brugia malayi Tnks protein 0.0112 0.0153 0.0069
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.0153 0.5
Echinococcus granulosus TGF-beta receptor type-1 0.0278 0.0414 0.0414
Echinococcus granulosus AMPK beta subunit 0.0068 0.0084 0.0084
Schistosoma mansoni Protein orai-1 0.6368 1 1
Schistosoma mansoni sarm1 0.0112 0.0153 0.0153
Plasmodium falciparum protein kinase, putative 0.0113 0.0155 0.5
Brugia malayi Neurabin protein 1 0.0112 0.0153 0.0069
Echinococcus multilocularis stromal interaction molecule 1 0.1409 0.2195 0.2191
Schistosoma mansoni protein kinase 0.0173 0.025 0.025
Leishmania major hypothetical protein, conserved 0.0068 0.0084 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0183 0.0264 0.0181
Loa Loa (eye worm) hypothetical protein 0.0018 0.0005 0.0005
Brugia malayi hypothetical protein 0.0147 0.0208 0.0125
Loa Loa (eye worm) hypothetical protein 0.0112 0.0153 0.0153
Echinococcus granulosus SAM domain containing protein 0.0112 0.0153 0.0153
Brugia malayi hypothetical protein 0.1409 0.2195 0.2129
Onchocerca volvulus 0.0112 0.0153 0.4703
Schistosoma mansoni Protein orai-1 0.6368 1 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.
 
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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