Detailed information for compound 1468825

Basic information

Technical information
  • TDR Targets ID: 1468825
  • Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1- yl]-N-prop-2-enylacetamide
  • MW: 317.383 | Formula: C17H23N3O3
  • H donors: 1 H acceptors: 1 LogP: 1.37 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCNC(=O)CN1CCN(CC1)Cc1ccc2c(c1)OCO2
  • InChi: 1S/C17H23N3O3/c1-2-5-18-17(21)12-20-8-6-19(7-9-20)11-14-3-4-15-16(10-14)23-13-22-15/h2-4,10H,1,5-9,11-13H2,(H,18,21)
  • InChiKey: NFAFGEOEIHLLRN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-allyl-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide
  • N-allyl-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]acetamide
  • 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-prop-2-enyl-ethanamide
  • ASN 08748088

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
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0073 0.0139 0.5
Loa Loa (eye worm) AUR protein kinase 0.0073 0.0139 0.0139
Trichomonas vaginalis CAMK family protein kinase 0.3299 1 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.3299 1 1
Leishmania major protein kinase, putative 0.0073 0.0139 0.0055
Brugia malayi Cytochrome P450 family protein 0.0082 0.0167 0.0084
Echinococcus granulosus aurora kinase A 0.0073 0.0139 0.0055
Loa Loa (eye worm) hypothetical protein 0.0077 0.0152 0.0152
Schistosoma mansoni serine/threonine protein kinase 0.3299 1 1
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0077 0.0152 0.0068
Loa Loa (eye worm) CYP4Cod1 0.0082 0.0167 0.0167
Trypanosoma cruzi aurora B kinase, putative 0.0073 0.0139 0.0055
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0073 0.0139 0.0055
Trichomonas vaginalis CAMK family protein kinase 0.3299 1 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.3299 1 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0055 0.0085 0.5
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.1151 0.3435 0.3379
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.3299 1 1
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0055 0.0085 0.5
Entamoeba histolytica serine/threonine protein kinase, putative 0.3299 1 1
Trypanosoma brucei polo-like protein kinase 0.3299 1 1
Brugia malayi Fibronectin type III domain containing protein 0.0077 0.0152 0.0068
Trypanosoma cruzi polo-like protein kinase, putative 0.3299 1 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0055 0.0085 0.5
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0055 0.0085 0.5
Echinococcus granulosus roundabout 2 0.0094 0.0203 0.012
Schistosoma mansoni protein kinase 0.0073 0.0139 0.0055
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0073 0.0139 0.0055
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.1151 0.3435 0.3379
Schistosoma mansoni cell adhesion molecule 0.0086 0.0181 0.0097
Loa Loa (eye worm) cytochrome P450 family protein 0.0082 0.0167 0.0167
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0055 0.0085 0.5
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0055 0.0085 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.052 0.1508 0.1435
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0055 0.0085 0.5
Echinococcus granulosus twitchin 0.0097 0.0213 0.013
Loa Loa (eye worm) AUR protein kinase 0.0073 0.0139 0.0139
Trichomonas vaginalis CAMK family protein kinase 0.3299 1 1
Plasmodium falciparum serine/threonine protein kinase, putative 0.0073 0.0139 0.5
Brugia malayi Cytochrome P450 family protein 0.0082 0.0167 0.0084
Echinococcus multilocularis Immunoglobulin 0.0077 0.0152 0.0068
Loa Loa (eye worm) hypothetical protein 0.0094 0.0203 0.0203
Trypanosoma cruzi cytochrome P450, putative 0.0082 0.0167 0.0084
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0055 0.0085 0.5
Trichomonas vaginalis CAMK family protein kinase 0.3299 1 1
Toxoplasma gondii aurora kinase 0.0073 0.0139 1
Echinococcus granulosus defective proboscis extension response 0.0077 0.0152 0.0068
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0077 0.0152 0.0068
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0055 0.0085 0.5
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0055 0.0085 0.5
Loa Loa (eye worm) hypothetical protein 0.0077 0.0152 0.0152
Schistosoma mansoni kinase 0.3057 0.9259 0.9253
Loa Loa (eye worm) AUR protein kinase 0.0073 0.0139 0.0139
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0055 0.0085 0.5
Leishmania major cytochrome p450-like protein 0.0082 0.0167 0.0084
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0055 0.0085 0.5
Loa Loa (eye worm) hypothetical protein 0.0077 0.0152 0.0152
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.003 0.0007 0.0007
Onchocerca volvulus Tyrosine kinase homolog 0.0442 0.1267 0.005
Trichomonas vaginalis CAMK family protein kinase 0.1393 0.4176 0.4094
Onchocerca volvulus Serine\/threonine kinase homolog 0.3299 1 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0086 0.0181 0.0097
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0077 0.0152 0.0068
Schistosoma mansoni nephrin 0.0084 0.0174 0.0091
Loa Loa (eye worm) cytochrome P450 family protein 0.0082 0.0167 0.0167
Brugia malayi serine/threonine protein kinase 6 0.0073 0.0139 0.0055
Trichomonas vaginalis CAMK family protein kinase 0.1393 0.4176 0.4094
Loa Loa (eye worm) TK/KIN16 protein kinase 0.052 0.1508 0.1508
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0055 0.0085 0.5
Loa Loa (eye worm) hypothetical protein 0.0077 0.0152 0.0152
Loa Loa (eye worm) hypothetical protein 0.0094 0.0203 0.0203
Echinococcus multilocularis aurora kinase A 0.0073 0.0139 0.0055
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0082 0.0167 1
Giardia lamblia Kinase, PLK 0.3299 1 1
Brugia malayi serine/threonine kinase 12 0.0073 0.0139 0.0055
Mycobacterium leprae Conserved hypothetical protein 0.0055 0.0085 0.5
Trichomonas vaginalis CAMK family protein kinase 0.3299 1 1
Echinococcus multilocularis roundabout 2 0.0094 0.0203 0.012
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0055 0.0085 0.5
Loa Loa (eye worm) hypothetical protein 0.0077 0.0152 0.0152
Brugia malayi Immunoglobulin I-set domain containing protein 0.0077 0.0152 0.0068
Brugia malayi hypothetical protein 0.0077 0.0152 0.0068
Loa Loa (eye worm) cytochrome P450 0.0055 0.0085 0.0085
Echinococcus granulosus Immunoglobulin 0.0077 0.0152 0.0068
Echinococcus multilocularis neuroglian 0.0084 0.0174 0.0091
Loa Loa (eye worm) cytochrome P450 family protein 0.0173 0.0446 0.0446
Echinococcus granulosus neuroglian 0.0084 0.0174 0.0091
Loa Loa (eye worm) hypothetical protein 0.0077 0.0152 0.0152
Trypanosoma brucei aurora B kinase 0.0073 0.0139 0.0055
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0055 0.0085 0.5
Trichomonas vaginalis CAMK family protein kinase 0.3299 1 1
Trichomonas vaginalis CAMK family protein kinase 0.3299 1 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0055 0.0085 0.5
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.3299 1 1
Brugia malayi serine/threonine-protein kinase 6 0.0073 0.0139 0.0055
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0055 0.0085 0.5
Brugia malayi Cytochrome P450 family protein 0.0173 0.0446 0.0364
Mycobacterium leprae putative cytochrome p450 0.0055 0.0085 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.3299 1 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0055 0.0085 0.5
Trypanosoma brucei cytochrome P450, putative 0.0082 0.0167 0.0084
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0055 0.0085 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0082 0.0167 0.0084
Echinococcus multilocularis Immunoglobulin 0.0077 0.0152 0.0068
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0055 0.0085 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.0139 0.0055
Loa Loa (eye worm) hypothetical protein 0.0086 0.0181 0.0181
Schistosoma mansoni vesicular amine transporter 0.0077 0.0152 0.0068

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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