Detailed information for compound 1157879

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 240.3 | Formula: C15H16N2O
  • H donors: 1 H acceptors: 1 LogP: 1.55 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: N[C@H]1C[C@@H]2CCC(=O)n3c2c(C1)c1ccccc31
  • InChi: 1S/C15H16N2O/c16-10-7-9-5-6-14(18)17-13-4-2-1-3-11(13)12(8-10)15(9)17/h1-4,9-10H,5-8,16H2/t9-,10-/m0/s1
  • InChiKey: KNVDUZNZYYTTMA-UWVGGRQHSA-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
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0482 0.3764
Schistosoma mansoni DNA polymerase eta 0.0021 0.0482 0.0669
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0732 0.2493
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 0.0732 0.5832
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0028 0.0732 0.4023
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0482 0.3764
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.1943 0.6789
Schistosoma mansoni hypothetical protein 0.0035 0.1016 0.1451
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0086 0.2849 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0711 0.5659
Echinococcus multilocularis GPCR, family 2 0.0035 0.1016 0.1373
Onchocerca volvulus 0.0028 0.0732 0.1205
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0482 0.3764
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 0.0732 0.5832
Schistosoma mansoni cpg binding protein 0.0034 0.0967 0.138
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0028 0.0732 0.2493
Loa Loa (eye worm) follicle stimulating hormone receptor 0.026 0.913 0.9128
Loa Loa (eye worm) hypothetical protein 0.0169 0.5865 0.5853
Schistosoma mansoni peptidase Clp (S14 family) 0.0086 0.2849 0.4136
Brugia malayi Inositol-1 0.0041 0.1234 0.1209
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0086 0.2849 1
Loa Loa (eye worm) histone methyltransferase 0.001 0.0096 0.0068
Loa Loa (eye worm) hypothetical protein 0.0021 0.048 0.0453
Loa Loa (eye worm) hypothetical protein 0.0021 0.048 0.0453
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.1234 0.4275
Schistosoma mansoni hypothetical protein 0.0197 0.6851 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0112 0.378 0.3762
Schistosoma mansoni hypothetical protein 0.0035 0.1016 0.1451
Loa Loa (eye worm) hypothetical protein 0.0027 0.0711 0.0684
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0037 0.1077 0.3719
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0028 0.0732 0.4023
Loa Loa (eye worm) hypothetical protein 0.0021 0.048 0.0453
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0086 0.2849 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.1016 0.099
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0482 0.0669
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0482 0.3764
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0482 0.0634
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0482 0.0455
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0482 0.3908
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0008 0.0028 0.0004
Schistosoma mansoni hypothetical protein 0.0035 0.1016 0.1451
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0086 0.2849 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.1591 0.2172
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0732 0.0705
Echinococcus granulosus cpg binding protein 0.0034 0.0967 0.1306
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0482 0.3764
Trypanosoma brucei unspecified product 0.0014 0.0251 0.1844
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.1591 0.1567
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0482 0.3764
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0021 0.048 0.1601
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.003 0.0808 0.2766
Loa Loa (eye worm) hypothetical protein 0.0086 0.2849 0.2828
Schistosoma mansoni tar DNA-binding protein 0.0134 0.457 0.6657
Toxoplasma gondii hypothetical protein 0.003 0.0808 0.2766
Brugia malayi hypothetical protein 0.0027 0.0711 0.0684
Echinococcus granulosus geminin 0.0197 0.6851 0.9467
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.048 0.2583
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0732 0.5832
Loa Loa (eye worm) hypothetical protein 0.0021 0.048 0.0453
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0482 0.3764
Loa Loa (eye worm) hypothetical protein 0.0021 0.048 0.0453
Leishmania major DNA polymerase eta, putative 0.0021 0.0482 0.3764
Loa Loa (eye worm) inositol-1 0.0041 0.1234 0.1209
Schistosoma mansoni hypothetical protein 0.0076 0.2501 0.3626
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0732 0.5832
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0482 0.3764
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0086 0.2849 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0028 0.0732 0.2493
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0439 0.2351
Trypanosoma brucei unspecified product 0.0021 0.0482 0.3764
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0086 0.2849 0.3916
Leishmania major hypothetical protein, conserved 0.0027 0.0711 0.5659
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0086 0.2849 0.3916
Echinococcus multilocularis dna polymerase eta 0.0021 0.0482 0.0634
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0008 0.0028 0.0004
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0041 0.1234 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0134 0.457 0.4554
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.1234 1
Brugia malayi hypothetical protein 0.0017 0.0365 0.0338
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0251 0.1844
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0037 0.1077 0.6
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.003 0.0808 0.2766
Mycobacterium ulcerans hypothetical protein 0.0028 0.0732 0.2493
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.1591 0.1567
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.1234 0.4275
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0732 0.0705
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.1591 0.2172
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0711 0.2419
Schistosoma mansoni cpg binding protein 0.0032 0.0901 0.1283
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.1234 1
Schistosoma mansoni hypothetical protein 0.0035 0.1016 0.1451
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1591 0.2294
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0482 0.3908
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0112 0.378 0.3762
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.1234 0.1676
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0207 0.7236 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0086 0.2849 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.2501 0.2479
Brugia malayi RNA binding protein 0.0134 0.457 0.4554
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0482 0.0634
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.003 0.0808 0.2766
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.048 0.1601
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0056 0.1776 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0028 0.0732 0.2493
Brugia malayi Latrophilin receptor protein 2 0.0035 0.1016 0.099
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0251 0.1844
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.2501 0.2479
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0092 0.0064
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0711 0.5659
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0482 0.3764
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0096 0.0098
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0482 0.3764
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0482 0.1609
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0086 0.2849 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.1591 0.2172
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0207 0.7236 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0096 0.0098
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0711 0.2419
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0482 0.3764
Schistosoma mansoni inositol monophosphatase 0.0041 0.1234 0.1771
Trypanosoma brucei unspecified product 0.0014 0.0251 0.1844
Schistosoma mansoni hypothetical protein 0.0012 0.0173 0.0216
Schistosoma mansoni cpg binding protein 0.0034 0.0967 0.138
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0.0028 0.023
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.1234 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.1591 0.2172
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0086 0.2849 1
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0482 0.0455
Giardia lamblia DINP protein human, muc B family 0.0021 0.0482 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0134 0.457 0.4554
Loa Loa (eye worm) hypothetical protein 0.0021 0.0482 0.0455
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0482 0.3764
Brugia malayi hypothetical protein 0.0169 0.5865 0.5853
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0482 0.3764
Loa Loa (eye worm) hypothetical protein 0.0028 0.0732 0.0705
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1591 0.2294
Loa Loa (eye worm) hypothetical protein 0.0028 0.0732 0.0705
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0.0028 0.023
Loa Loa (eye worm) hypothetical protein 0.0035 0.1016 0.099
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0482 0.3764
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0028 0.0732 0.2493
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0482 0.2597
Brugia malayi Probable ClpP-like protease 0.0086 0.2849 0.2828
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.1234 1
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.1234 0.1676
Echinococcus multilocularis geminin 0.0197 0.6851 0.9467
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0482 0.3764
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0173 0.0205
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0482 0.0634
Brugia malayi TAR-binding protein 0.0134 0.457 0.4554
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0482 0.3764
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0173 0.0205
Echinococcus granulosus tar DNA binding protein 0.0134 0.457 0.6303
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.1016 0.1373
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0711 0.2419
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0482 0.3764
Echinococcus multilocularis cpg binding protein 0.0034 0.0967 0.1306
Schistosoma mansoni tar DNA-binding protein 0.0134 0.457 0.6657
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.1016 0.1373
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.1234 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0028 0.0732 0.2493
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0439 0.2351
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0086 0.2849 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.1016 0.099
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0056 0.1776 1
Loa Loa (eye worm) RNA binding protein 0.0134 0.457 0.4554
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0068 0.2207 0.3196
Entamoeba histolytica acyl-coA synthetase, putative 0.0028 0.0732 0.5832
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.048 0.1601
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0732 0.2493
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0901 0.0875
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0732 0.0705
Echinococcus multilocularis tar DNA binding protein 0.0134 0.457 0.6303
Onchocerca volvulus 0.0169 0.5865 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0482 0.3764
Schistosoma mansoni tar DNA-binding protein 0.0134 0.457 0.6657
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0251 0.1844
Brugia malayi follicle stimulating hormone receptor 0.026 0.913 0.9128
Schistosoma mansoni tar DNA-binding protein 0.0134 0.457 0.6657
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0028 0.0732 0.2493
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.1234 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0732 0.0705
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0056 0.1776 0.6198
Echinococcus granulosus peptidase Clp S14 family 0.0056 0.1776 0.2428
Brugia malayi CXXC zinc finger family protein 0.0032 0.0901 0.0875
Schistosoma mansoni inositol monophosphatase 0.0041 0.1234 0.1771
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0711 0.5659
Schistosoma mansoni acetyl-CoA synthetase 0.0008 0.0028 0.0004
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0482 0.3764
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0086 0.2849 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0732 0.2493
Loa Loa (eye worm) TAR-binding protein 0.0134 0.457 0.4554
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0482 0.0669
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0439 0.2351
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0439 0.2351
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0482 0.1609
Echinococcus granulosus dna polymerase eta 0.0021 0.0482 0.0634
Echinococcus multilocularis peptidase Clp (S14 family) 0.0056 0.1776 0.2428
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0711 0.2419
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0482 0.3764
Echinococcus granulosus GPCR family 2 0.0035 0.1016 0.1373
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.1234 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.1591 0.2294
Onchocerca volvulus 0.0032 0.0901 0.1495
Schistosoma mansoni hypothetical protein 0.0197 0.6851 1
Loa Loa (eye worm) hypothetical protein 0.0284 1 1
Echinococcus granulosus dna polymerase kappa 0.0021 0.0482 0.0634
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0482 0.3764
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.0732 0.5832
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0482 0.0455
Schistosoma mansoni tar DNA-binding protein 0.0134 0.457 0.6657
Leishmania major DNA polymerase kappa, putative 0.0021 0.0482 0.3764
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0086 0.2849 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0482 0.2597

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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