Detailed information for compound 886147

Basic information

Technical information
  • TDR Targets ID: 886147
  • Name: 2-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1- yl]benzonitrile
  • MW: 321.373 | Formula: C19H19N3O2
  • H donors: 0 H acceptors: 1 LogP: 2.88 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccccc1N1CCN(CC1)Cc1cccc2c1OCO2
  • InChi: 1S/C19H19N3O2/c20-12-15-4-1-2-6-17(15)22-10-8-21(9-11-22)13-16-5-3-7-18-19(16)24-14-23-18/h1-7H,8-11,13-14H2
  • InChiKey: WFGPZIDXTHDUFK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-(1,3-benzodioxol-4-ylmethyl)-1-piperazinyl]benzonitrile
  • Oprea1_680063

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
Loa Loa (eye worm) hypothetical protein 0.059 0.1302 0.1302
Toxoplasma gondii subtilisin SUB6 0.0127 0.007 0.6298
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0127 0.007 0.017
Schistosoma mansoni furin-1 (S08 family) 0.1295 0.3177 0.4384
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0127 0.007 0.017
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0127 0.007 0.017
Brugia malayi Furin-like cysteine rich region family protein 0.0138 0.0098 0.0098
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0127 0.007 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0576 0.1264 0.3056
Schistosoma mansoni site-1 peptidase (S08 family) 0.0127 0.007 0.0092
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0127 0.007 0.0096
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0127 0.007 0.017
Trichomonas vaginalis hypothetical protein 0.0576 0.1264 0.3056
Plasmodium vivax subtilisin-like serine protease, putative 0.0127 0.007 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0729 0.1672 0.4043
Trichomonas vaginalis conserved hypothetical protein 0.0576 0.1264 0.3056
Loa Loa (eye worm) hypothetical protein 0.0102 0.0004 0.0004
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0127 0.007 0.017
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0127 0.007 0.017
Brugia malayi Integrin alpha pat-2 precursor 0.0307 0.0547 0.0547
Schistosoma mansoni integrin beta subunit 0.2263 0.5752 0.7941
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1655 0.4135 1
Toxoplasma gondii subtilisin SUB12 0.0143 0.0111 1
Brugia malayi Trypsin family protein 0.0102 0.0004 0.0004
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0127 0.007 0.017
Toxoplasma gondii subtilisin SUB7 0.0127 0.007 0.6298
Loa Loa (eye worm) hypothetical protein 0.0169 0.0182 0.0182
Echinococcus multilocularis fibrillin 1 0.0102 0.0002 0.0003
Loa Loa (eye worm) hypothetical protein 0.1194 0.2908 0.2908
Echinococcus granulosus epidermal growth factor receptor 0.0138 0.0098 0.0134
Plasmodium vivax subtilisin-like protease 2, putative 0.0127 0.007 0.5
Loa Loa (eye worm) TK/EGFR protein kinase 0.0138 0.0098 0.0098
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0729 0.1672 0.4043
Trichomonas vaginalis conserved hypothetical protein 0.0576 0.1264 0.3056
Loa Loa (eye worm) proprotein convertase 2 0.0729 0.1672 0.1672
Echinococcus granulosus integrin alpha ps 0.0137 0.0097 0.0133
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0127 0.007 0.5
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.1655 0.4135 0.5648
Echinococcus multilocularis membrane bound transcription factor site 1 0.0127 0.007 0.0096
Loa Loa (eye worm) kelch domain-containing protein family protein 0.059 0.1302 0.1302
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0127 0.007 0.017
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0729 0.1672 0.4043
Onchocerca volvulus 0.0102 0.0004 0.0539
Loa Loa (eye worm) hypothetical protein 0.2823 0.7242 0.7242
Trichomonas vaginalis conserved hypothetical protein 0.0576 0.1264 0.3056
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0127 0.007 0.017
Echinococcus multilocularis epidermal growth factor receptor 0.0138 0.0098 0.0134
Toxoplasma gondii subtilisin SUB2 0.0127 0.007 0.6298
Toxoplasma gondii subtilisin SUB10 0.0127 0.007 0.6298
Giardia lamblia High cysteine membrane protein Group 2 0.0952 0.2265 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0729 0.1672 0.4043
Toxoplasma gondii subtilisin SUB9 0.0127 0.007 0.6298
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0127 0.007 0.017
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0127 0.007 0.017
Echinococcus granulosus integrin alpha 3 0.0235 0.0357 0.0488
Brugia malayi Subtilase family protein 0.0127 0.007 0.007
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.1655 0.4135 1
Echinococcus multilocularis integrin alpha 3 0.0235 0.0357 0.0488
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0127 0.007 0.0092
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0127 0.007 0.017
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0127 0.007 0.5
Echinococcus granulosus fibrillin 1 0.0102 0.0002 0.0003
Giardia lamblia Furin precursor putative serine protease 0.0602 0.1334 0.5888
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0127 0.007 0.007
Toxoplasma gondii subtilisin SUB5 0.0127 0.007 0.6298
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0127 0.007 0.017
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0729 0.1672 0.4043
Trichomonas vaginalis conserved hypothetical protein 0.0576 0.1264 0.3056
Brugia malayi endoprotease bli-4 precursor 0.2823 0.7242 0.7242
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.2823 0.7242 1
Trichomonas vaginalis conserved hypothetical protein 0.0576 0.1264 0.3056
Loa Loa (eye worm) integrin beta-2 0.3859 1 1
Onchocerca volvulus 0.0127 0.007 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0127 0.007 0.017
Trichomonas vaginalis conserved hypothetical protein 0.0127 0.007 0.017
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0127 0.007 0.017
Trypanosoma cruzi subtilisin peptidase 0.0127 0.007 0.5
Brugia malayi celfurPC protein 0.2247 0.571 0.571
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0153 0.014 0.0188
Loa Loa (eye worm) hypothetical protein 0.0102 0.0004 0.0004
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0729 0.1672 0.2305
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0127 0.007 0.017
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0127 0.007 0.017
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0127 0.007 0.017
Echinococcus multilocularis 0.2247 0.571 0.7799
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0729 0.1672 0.4043
Schistosoma mansoni hypothetical protein 0.0576 0.1264 0.1741
Schistosoma mansoni site-1 peptidase (S08 family) 0.0127 0.007 0.0092
Schistosoma mansoni integrin alpha 0.0307 0.0547 0.0751
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0153 0.014 0.0338
Plasmodium falciparum subtilisin-like protease 3 0.0127 0.007 0.5
Loa Loa (eye worm) hypothetical protein 0.0192 0.0243 0.0243
Toxoplasma gondii subtilisin SUB4 0.0127 0.007 0.6298
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0127 0.007 0.017
Loa Loa (eye worm) hypothetical protein 0.0127 0.007 0.007
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0127 0.007 0.017
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0127 0.007 0.007
Plasmodium vivax subtilisin-like protease 1 0.0127 0.007 0.5
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0232 0.0349 0.0349
Brugia malayi proprotein convertase 2 0.1897 0.4779 0.4779
Echinococcus multilocularis integrin beta 2 0.2853 0.7322 1
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0602 0.1334 0.3225
Brugia malayi Kelch motif family protein 0.059 0.1302 0.1302
Trichomonas vaginalis conserved hypothetical protein 0.0576 0.1264 0.3056
Loa Loa (eye worm) subtilase 0.0127 0.007 0.007
Echinococcus granulosus furin 0.2823 0.7242 0.9891
Trichomonas vaginalis conserved hypothetical protein 0.0127 0.007 0.017
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0127 0.007 0.5
Echinococcus granulosus Furin 1 0.0729 0.1672 0.2284
Plasmodium falciparum subtilisin-like protease 2 0.0127 0.007 0.5
Toxoplasma gondii subtilisin SUB1 0.0127 0.007 0.6298
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0127 0.007 0.017
Loa Loa (eye worm) hypothetical protein 0.0232 0.0349 0.0349
Plasmodium falciparum subtilisin-like protease 1 0.0127 0.007 0.5
Toxoplasma gondii subtilisin SUB8 0.0127 0.007 0.6298
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0127 0.007 0.017
Trichomonas vaginalis conserved hypothetical protein 0.0127 0.007 0.017
Leishmania major subtilisin-like serine peptidase 0.0127 0.007 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0576 0.1264 0.3056
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0127 0.007 0.5
Echinococcus multilocularis neuroendocrine convertase 2 0.1897 0.4779 0.6527
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0127 0.007 0.0096
Loa Loa (eye worm) hypothetical protein 0.0241 0.0372 0.0372
Loa Loa (eye worm) integrin alpha pat-2 0.0473 0.0989 0.0989
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0127 0.007 0.5
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.1655 0.4135 0.5648
Toxoplasma gondii subtilisin SUB11 0.0127 0.007 0.6298
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0127 0.007 0.5
Echinococcus granulosus membrane bound transcription factor site 1 0.0127 0.007 0.0096
Echinococcus granulosus neuroendocrine convertase 2 0.1897 0.4779 0.6527
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0127 0.007 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0576 0.1264 0.3056
Trypanosoma brucei subtilisin peptidase 0.0127 0.007 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0127 0.007 0.017
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0576 0.1264 0.3056
Trichomonas vaginalis conserved hypothetical protein 0.0127 0.007 0.017
Loa Loa (eye worm) endoprotease bli-4 0.2823 0.7242 0.7242
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0127 0.007 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0576 0.1264 0.3056
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0127 0.007 0.017
Echinococcus multilocularis Furin 1 0.0729 0.1672 0.2284
Echinococcus granulosus integrin beta 2 0.2853 0.7322 1
Mycobacterium leprae Possible secreted protease 0.0127 0.007 0.5
Echinococcus multilocularis integrin alpha ps 0.0137 0.0097 0.0133
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0127 0.007 0.5
Brugia malayi hypothetical protein 0.059 0.1302 0.1302
Schistosoma mansoni integrin alpha-ps 0.0137 0.0097 0.0129
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0127 0.007 0.5
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0127 0.007 0.5
Schistosoma mansoni tyrosine kinase 0.0138 0.0098 0.013
Echinococcus multilocularis integrin alpha ps 0.0137 0.0097 0.0133
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0127 0.007 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0576 0.1264 0.3056
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.0602 0.1334 0.3225
Brugia malayi neuroendocrine convertase 1 precursor 0.2063 0.522 0.522

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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