Detailed information for compound 736906

Basic information

Technical information
  • TDR Targets ID: 736906
  • Name: Oprea1_458284
  • MW: 283.368 | Formula: C17H21N3O
  • H donors: 0 H acceptors: 1 LogP: 2.25 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1N1CCN(CC1)Cc1cccnc1
  • InChi: 1S/C17H21N3O/c1-21-17-7-3-2-6-16(17)20-11-9-19(10-12-20)14-15-5-4-8-18-13-15/h2-8,13H,9-12,14H2,1H3
  • InChiKey: NIOCEAQPJHBDGN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • Oprea1_232732
  • CBDivE_013289

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 Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0026 0.0096
Brugia malayi hypothetical protein 0.0073 0.0119 0.0439
Toxoplasma gondii hypothetical protein 0.0057 0.0081 0.0207
Schistosoma mansoni cathepsin F (C01 family) 0.0033 0.0026 0.0026
Trichomonas vaginalis pantothenate kinase, putative 0.1177 0.271 1
Onchocerca volvulus 0.0033 0.0026 0.0096
Echinococcus granulosus peptidase Clp S14 family 0.0109 0.0202 0.0202
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0062 0.023
Onchocerca volvulus 0.0101 0.0185 0.0682
Schistosoma mansoni peptidase Clp (S14 family) 0.0166 0.0336 0.0336
Brugia malayi Cathepsin L-like precursor 0.0033 0.0026 0.0096
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0026 0.0096
Mycobacterium leprae conserved hypothetical protein 0.0149 0.0297 0.8452
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0026 0.0096
Trichomonas vaginalis conserved hypothetical protein 0.068 0.1543 0.5694
Entamoeba histolytica cysteine protease, putative 0.0033 0.0026 0.0096
Mycobacterium tuberculosis Probable esterase LipL 0.0149 0.0297 0.0478
Mycobacterium tuberculosis Conserved protein 0.0149 0.0297 0.0478
Leishmania major hypothetical protein, conserved 0.0149 0.0297 0.101
Entamoeba histolytica hypothetical protein 0.0073 0.0119 0.0439
Brugia malayi pantothenate kinase family protein 0.1177 0.271 1
Onchocerca volvulus Cathepsin L homolog 0.0033 0.0026 0.0096
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0026 0.0096
Trypanosoma cruzi cysteine peptidase, putative 0.0127 0.0246 0.0821
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0166 0.0336 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0026 0.0096
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0166 0.0336 0.1157
Entamoeba histolytica hypothetical protein 0.0073 0.0119 0.0439
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0062 0.023
Leishmania major cathepsin L-like protease 0.0127 0.0246 0.0821
Leishmania major cathepsin L-like protease 0.0127 0.0246 0.0821
Onchocerca volvulus Fumble homolog 0.1177 0.271 1
Echinococcus granulosus tumor protein p63 0.0691 0.1569 0.1569
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0149 0.0297 0.0478
Trichomonas vaginalis pantothenate kinase, putative 0.1177 0.271 1
Trypanosoma cruzi cysteine peptidase, putative 0.0127 0.0246 0.0821
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0026 0.0096
Onchocerca volvulus 0.0149 0.0297 0.1096
Loa Loa (eye worm) hypothetical protein 0.0149 0.0297 0.1096
Trypanosoma cruzi major cysteine proteinase, putative 0.01 0.0182 0.0583
Echinococcus granulosus cathepsin l cysteine peptidase 0.0033 0.0026 0.0026
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0026 0.0096
Trypanosoma brucei hypothetical protein, conserved 0.0149 0.0297 0.0206
Loa Loa (eye worm) hypothetical protein 0.0149 0.0297 0.1096
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0026 0.0096
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0033 0.0026 0.0096
Entamoeba histolytica cysteine proteinase, putative 0.0033 0.0026 0.0096
Mycobacterium tuberculosis Conserved protein 0.0149 0.0297 0.0478
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0166 0.0336 0.1157
Brugia malayi Papain family cysteine protease containing protein 0.0033 0.0026 0.0096
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0026 0.0096
Onchocerca volvulus Cathepsin L homolog 0.0033 0.0026 0.0096
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0033 0.0026 0.0096
Mycobacterium tuberculosis Conserved protein 0.0149 0.0297 0.0478
Toxoplasma gondii ABC1 family protein 0.0149 0.0297 0.101
Loa Loa (eye worm) cysteine protease 0.0033 0.0026 0.0096
Echinococcus multilocularis peptidase Clp (S14 family) 0.0109 0.0202 0.0177
Onchocerca volvulus 0.0033 0.0026 0.0096
Entamoeba histolytica cysteine proteinase, putative 0.0033 0.0026 0.0096
Loa Loa (eye worm) hypothetical protein 0.0149 0.0297 0.1096
Mycobacterium tuberculosis Probable lipase LipE 0.0149 0.0297 0.0478
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0026 0.0096
Loa Loa (eye worm) hypothetical protein 0.0149 0.0297 0.1096
Entamoeba histolytica hypothetical protein 0.0073 0.0119 0.0439
Toxoplasma gondii fumble protein 0.1177 0.271 1
Loa Loa (eye worm) fibroinase 0.0033 0.0026 0.0096
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0026 0.0096
Plasmodium vivax hypothetical protein, conserved 0.0497 0.1114 0.4055
Loa Loa (eye worm) hypothetical protein 0.0101 0.0185 0.0682
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.0227 0.0838
Trypanosoma cruzi pantothenate kinase subunit, putative 0.1177 0.271 1
Plasmodium vivax pantothenate kinase, putative 0.1177 0.271 1
Leishmania major cathepsin L-like protease 0.0127 0.0246 0.0821
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0026 0.0096
Echinococcus multilocularis beta LACTamase domain containing family member 0.0149 0.0297 0.0272
Echinococcus granulosus cathepsin L cysteine proteinase 0.0033 0.0026 0.0026
Onchocerca volvulus 0.0033 0.0026 0.0096
Schistosoma mansoni cellular tumor antigen P53 0.0101 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0166 0.0336 0.1241
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0026 0.0096
Brugia malayi beta-lactamase family protein 0.0149 0.0297 0.1096
Brugia malayi beta-lactamase family protein 0.0149 0.0297 0.1096
Onchocerca volvulus 0.0149 0.0297 0.1096
Loa Loa (eye worm) hypothetical protein 0.0153 0.0306 0.1128
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0166 0.0336 0.5
Plasmodium vivax hypothetical protein, conserved 0.0149 0.0297 0.101
Loa Loa (eye worm) hypothetical protein 0.0033 0.0026 0.0096
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0026 0.0096
Onchocerca volvulus 0.0149 0.0297 0.1096
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0026 0.0096
Trypanosoma cruzi hypothetical protein, conserved 0.0149 0.0297 0.101
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0109 0.0202 0.4744
Loa Loa (eye worm) beta-lactamase 0.0149 0.0297 0.1096
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0166 0.0336 0.0311
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0026 0.0096
Echinococcus granulosus pantothenate kinase 4 0.1177 0.271 0.271
Echinococcus granulosus cathepsin l1 0.0033 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0149 0.0297 0.1096
Onchocerca volvulus 0.0153 0.0306 0.1128
Plasmodium falciparum pantothenate kinase 1, putative 0.1177 0.271 1
Brugia malayi Cathepsin L-like precursor 0.0033 0.0026 0.0096
Echinococcus multilocularis microtubule associated protein 2 0.4284 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0149 0.0297 0.1096
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0166 0.0336 1
Trypanosoma brucei pantothenate kinase subunit, putative 0.1177 0.271 1
Onchocerca volvulus 0.0033 0.0026 0.0096
Leishmania major pantothenate kinase subunit, putative 0.1177 0.271 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0166 0.0336 0.1157
Trichomonas vaginalis D-aminoacylase, putative 0.0149 0.0297 0.1096
Schistosoma mansoni pantothenate kinase 0.1177 0.271 0.271
Loa Loa (eye worm) ctsf protein 0.0033 0.0026 0.0096
Onchocerca volvulus 0.0033 0.0026 0.0096
Loa Loa (eye worm) hypothetical protein 0.0033 0.0026 0.0096
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0026 0.0096
Brugia malayi Cathepsin L-like precursor 0.0033 0.0026 0.0096
Mycobacterium tuberculosis Probable lipase LipD 0.0149 0.0297 0.0478
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0062 0.023
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0149 0.0297 0.1096
Trichomonas vaginalis penicillin-binding protein, putative 0.0149 0.0297 0.1096
Trichomonas vaginalis esterase, putative 0.0149 0.0297 0.1096
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0057 0.0081 0.0207
Brugia malayi Cathepsin L-like precursor 0.0033 0.0026 0.0096
Mycobacterium leprae Probable lipase LipE 0.0149 0.0297 0.8452
Mycobacterium tuberculosis Probable hydrolase 0.0149 0.0297 0.0478
Onchocerca volvulus 0.0033 0.0026 0.0096
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0057 0.0081 0.0207
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0116 0.022 0.0724
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0166 0.0336 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.0119 0.0093
Brugia malayi beta-lactamase 0.0149 0.0297 0.1096
Toxoplasma gondii pantothenate kinase 0.0497 0.1114 0.4055
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0026 0.0096
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.0119 0.0119
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0166 0.0336 0.0336
Trypanosoma cruzi hypothetical protein, conserved 0.0149 0.0297 0.101
Trypanosoma cruzi cruzipain precursor, putative 0.0127 0.0246 0.0821
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0149 0.0297 0.0478
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0166 0.0336 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0166 0.0336 0.5
Echinococcus multilocularis pantothenate kinase 4 0.1177 0.271 0.2691
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.0227 0.0838
Trichomonas vaginalis D-aminoacylase, putative 0.0149 0.0297 0.1096
Brugia malayi Probable ClpP-like protease 0.0166 0.0336 0.1241
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0026 0.0096
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0149 0.0297 0.0297
Brugia malayi Cathepsin L-like precursor 0.0033 0.0026 0.0096
Loa Loa (eye worm) hypothetical protein 0.0149 0.0297 0.1096
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0166 0.0336 1
Trichomonas vaginalis pantothenate kinase, putative 0.1177 0.271 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0166 0.0336 0.1157
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0951 0.218 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0149 0.0297 0.0478
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0026 0.0096
Trichomonas vaginalis D-aminoacylase, putative 0.0149 0.0297 0.1096
Trichomonas vaginalis pantothenate kinase, putative 0.1177 0.271 1
Trypanosoma cruzi pantothenate kinase subunit, putative 0.1177 0.271 1
Schistosoma mansoni microtubule-associated protein tau 0.4284 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.0119 0.0119
Schistosoma mansoni cathepsin F (C01 family) 0.0033 0.0026 0.0026
Loa Loa (eye worm) pantothenate kinase 0.1177 0.271 1
Brugia malayi MH2 domain containing protein 0.0119 0.0227 0.0838
Entamoeba histolytica hypothetical protein 0.0073 0.0119 0.0439
Onchocerca volvulus 0.0033 0.0026 0.0096
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0026 0.0096
Giardia lamblia Pantothenate kinase 4 0.1177 0.271 0.5
Echinococcus multilocularis tumor protein p63 0.0691 0.1569 0.1547
Echinococcus granulosus beta LACTamase domain containing family member 0.0149 0.0297 0.0297
Brugia malayi Cathepsin L-like precursor 0.0033 0.0026 0.0096
Schistosoma mansoni hypothetical protein 0.0033 0.0026 0.0026
Trypanosoma cruzi cysteine peptidase, putative 0.0127 0.0246 0.0821
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0026 0.0096
Schistosoma mansoni hypothetical protein 0.0073 0.0119 0.0119
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0026 0.0096
Loa Loa (eye worm) hypothetical protein 0.0049 0.0062 0.023
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0026 0.0096
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0149 0.0297 0.0297
Trichomonas vaginalis pantothenate kinase, putative 0.1177 0.271 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0149 0.0297 0.1096
Brugia malayi hypothetical protein 0.0153 0.0306 0.1128
Onchocerca volvulus Cathepsin F homolog 0.0033 0.0026 0.0096
Plasmodium falciparum pantothenate kinase 2, putative 0.0497 0.1114 0.4055
Schistosoma mansoni pantothenate kinase 0.1177 0.271 0.271
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0033 0.0026 0.0096
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0033 0.0026 0.0096
Entamoeba histolytica pantothenate kinase 1, putative 0.1177 0.271 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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