Detailed information for compound 1087384

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 298.383 | Formula: C17H22N4O
  • H donors: 2 H acceptors: 1 LogP: 4.76 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-]C1N[N+](=NN1c1ccccc1)C12CC3CC(C2)CC(C1)C3
  • InChi: 1S/C17H22N4O/c22-16-18-21(19-20(16)15-4-2-1-3-5-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14,16H,6-11H2,(H,18,19)
  • InChiKey: RHKXZRISQVTQHY-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
Brugia malayi Cathepsin L-like precursor 0.0018 0.0217 0.0312
Mycobacterium leprae Probable lipase LipE 0.0037 0.108 0.1363
Schistosoma mansoni tar DNA-binding protein 0.0068 0.2515 0.3283
Onchocerca volvulus 0.0027 0.0664 0.5183
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.108 0.2563
Loa Loa (eye worm) RNA binding protein 0.0068 0.2515 0.5969
Echinococcus multilocularis peptidase Clp (S14 family) 0.0055 0.1925 0.2645
Brugia malayi Cathepsin L-like precursor 0.0018 0.0217 0.0312
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.2445 1
Schistosoma mansoni hypothetical protein 0.0034 0.0939 0.1032
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0939 0.1275
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0084 0.3239 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.108 0.2563
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.2445 1
Echinococcus multilocularis GPCR, family 2 0.0034 0.0939 0.1275
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0106 0.4213 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0084 0.3239 0.4473
Schistosoma mansoni hypothetical protein 0.0038 0.1128 0.1301
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0084 0.3239 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0664 0.1577
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0217 0.027
Entamoeba histolytica hypothetical protein 0.0038 0.1128 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.2445 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.108 0.2403
Entamoeba histolytica hypothetical protein 0.0038 0.1128 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0939 0.223
Brugia malayi TAR-binding protein 0.0068 0.2515 0.5883
Onchocerca volvulus 0.0037 0.108 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0939 0.1275
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0939 0.223
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.108 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0018 0.0217 0.0515
Loa Loa (eye worm) hypothetical protein 0.0027 0.0642 0.1523
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0061 0.2183 0.8824
Loa Loa (eye worm) hypothetical protein 0.0037 0.108 0.2563
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0217 0.027
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0084 0.3239 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.108 0.1233
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0018 0.0217 0.0515
Onchocerca volvulus 0.0027 0.0664 0.5183
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0084 0.3239 0.5
Echinococcus granulosus cathepsin l1 0.0018 0.0217 0.027
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.108 0.1233
Loa Loa (eye worm) hypothetical protein 0.0037 0.108 0.2563
Brugia malayi Cathepsin L-like precursor 0.0018 0.0217 0.0312
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0084 0.3239 0.4473
Echinococcus granulosus geminin 0.0172 0.7215 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0055 0.1925 0.0948
Loa Loa (eye worm) hypothetical protein 0.0037 0.108 0.2563
Brugia malayi beta-lactamase family protein 0.0037 0.108 0.2403
Loa Loa (eye worm) TAR-binding protein 0.0068 0.2515 0.5969
Schistosoma mansoni hypothetical protein 0.0072 0.2698 0.3545
Leishmania major cathepsin L-like protease 0.0067 0.2445 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0018 0.0217 0.027
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0084 0.3239 1
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0939 0.2063
Brugia malayi Cathepsin L-like precursor 0.0018 0.0217 0.0312
Trypanosoma cruzi cruzipain precursor, putative 0.0067 0.2445 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0939 0.1275
Schistosoma mansoni peptidase Clp (S14 family) 0.0084 0.3239 0.4319
Echinococcus granulosus intermediate filament protein 0.0027 0.0664 0.0892
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.2445 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0217 0.0312
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0664 0.1577
Echinococcus granulosus peptidase Clp S14 family 0.0055 0.1925 0.2645
Echinococcus multilocularis cysteine protease 0.0018 0.0217 0.027
Loa Loa (eye worm) hypothetical protein 0.0037 0.108 0.2563
Onchocerca volvulus 0.0037 0.108 1
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.2515 0.5883
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0084 0.3239 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0084 0.3239 1
Schistosoma mansoni hypothetical protein 0.0034 0.0939 0.1032
Schistosoma mansoni hypothetical protein 0.0172 0.7215 1
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.2445 1
Toxoplasma gondii ABC1 family protein 0.0037 0.108 0.2854
Echinococcus granulosus lamin dm0 0.0027 0.0664 0.0892
Schistosoma mansoni lamin 0.0027 0.0664 0.0639
Echinococcus multilocularis geminin 0.0172 0.7215 1
Mycobacterium leprae conserved hypothetical protein 0.0037 0.108 0.1363
Schistosoma mansoni hypothetical protein 0.0034 0.0939 0.1032
Brugia malayi Probable ClpP-like protease 0.0084 0.3239 0.764
Echinococcus multilocularis lamin dm0 0.0027 0.0664 0.0892
Echinococcus granulosus cathepsin l cysteine peptidase 0.0018 0.0217 0.027
Schistosoma mansoni hypothetical protein 0.0034 0.0939 0.1032
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.2445 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0055 0.1925 0.0948
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.2445 1
Brugia malayi beta-lactamase family protein 0.0037 0.108 0.2403
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0084 0.3239 0.5
Plasmodium vivax hypothetical protein, conserved 0.0037 0.108 0.2854
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.108 0.3871
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0664 0.1577
Schistosoma mansoni tar DNA-binding protein 0.0068 0.2515 0.3283
Onchocerca volvulus 0.0037 0.108 1
Entamoeba histolytica hypothetical protein 0.0038 0.1128 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0217 0.0515
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.108 1
Schistosoma mansoni lamin 0.0027 0.0664 0.0639
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0029 0.0739 0.1726
Leishmania major cathepsin L-like protease 0.0067 0.2445 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.2445 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.108 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.2445 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.1128 0.1537
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0089 0.021
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.2445 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0053 0.1799 0.7098
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.2445 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0217 0.027
Schistosoma mansoni tar DNA-binding protein 0.0068 0.2515 0.3283
Loa Loa (eye worm) hypothetical protein 0.0084 0.3239 0.769
Echinococcus multilocularis cysteine protease 0.0018 0.0217 0.027
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.108 0.147
Echinococcus multilocularis lamin 0.0027 0.0664 0.0892
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0084 0.3239 1
Echinococcus granulosus lamin 0.0027 0.0664 0.0892
Brugia malayi hypothetical protein 0.0038 0.1128 0.252
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.2515 0.5969
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.1128 0.1537
Schistosoma mansoni tar DNA-binding protein 0.0068 0.2515 0.3283
Loa Loa (eye worm) cysteine protease 0.0018 0.0217 0.0515
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.0217 0.0312
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.4213 1
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.1128 0.1301
Loa Loa (eye worm) beta-lactamase 0.0037 0.108 0.2563
Loa Loa (eye worm) fibroinase 0.0018 0.0217 0.0515
Schistosoma mansoni hypothetical protein 0.0172 0.7215 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0055 0.1925 0.4744
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.108 0.3871
Loa Loa (eye worm) hypothetical protein 0.0072 0.2698 0.6404
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.2445 1
Trichomonas vaginalis esterase, putative 0.0037 0.108 1
Echinococcus multilocularis musashi 0.0027 0.0664 0.0892
Brugia malayi RNA binding protein 0.0068 0.2515 0.5883
Loa Loa (eye worm) hypothetical protein 0.0106 0.4213 1
Entamoeba histolytica hypothetical protein 0.0038 0.1128 1
Toxoplasma gondii hypothetical protein 0.0029 0.0739 0.1726
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.2698 0.6326
Schistosoma mansoni tar DNA-binding protein 0.0068 0.2515 0.3283
Echinococcus granulosus tar DNA binding protein 0.0068 0.2515 0.3465
Loa Loa (eye worm) hypothetical protein 0.0013 0.0023 0.0054
Brugia malayi Cathepsin L-like precursor 0.0018 0.0217 0.0312
Echinococcus granulosus GPCR family 2 0.0034 0.0939 0.1275
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0084 0.3239 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.2445 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.108 0.147
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0664 0.1396
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.108 1
Brugia malayi beta-lactamase 0.0037 0.108 0.2403
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0084 0.3239 1
Leishmania major hypothetical protein, conserved 0.0037 0.108 0.3871
Echinococcus multilocularis tar DNA binding protein 0.0068 0.2515 0.3465
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0029 0.0739 0.1726
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.2445 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0939 0.2063
Schistosoma mansoni intermediate filament proteins 0.0027 0.0664 0.0639
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0939 0.1275
Leishmania major cathepsin L-like protease 0.0067 0.2445 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.108 1
Brugia malayi intermediate filament protein 0.0027 0.0664 0.1396
Loa Loa (eye worm) hypothetical protein 0.0037 0.108 0.2563
Loa Loa (eye worm) ctsf protein 0.0018 0.0217 0.0515
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0217 0.027
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.4213 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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