Detailed information for compound 1180984

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 343.463 | Formula: C20H29N3O2
  • H donors: 0 H acceptors: 2 LogP: 1.43 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCC2(CC1)CCN(C2)C1CCOCC1)Cc1cccnc1
  • InChi: 1S/C20H29N3O2/c24-19(14-17-2-1-8-21-15-17)22-9-5-20(6-10-22)7-11-23(16-20)18-3-12-25-13-4-18/h1-2,8,15,18H,3-7,9-14,16H2
  • InChiKey: DYZRVWMATZYGMR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Echinococcus granulosus tar DNA binding protein 0.0065 0.0457 0.1562
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0026 0.009
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.018 0.1472 0.1449
Trypanosoma cruzi hypothetical protein, conserved 0.018 0.1472 1
Echinococcus multilocularis lamin dm0 0.0026 0.0119 0.0406
Brugia malayi MH2 domain containing protein 0.0024 0.0104 0.0316
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.018 0.1472 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.023 0.141
Echinococcus granulosus geminin 0.0346 0.2929 1
Mycobacterium tuberculosis Conserved protein 0.018 0.1472 0.1449
Mycobacterium leprae Probable lipase LipE 0.018 0.1472 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0045 0.0018
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0026 0.009
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0232 1
Trichomonas vaginalis esterase, putative 0.018 0.1472 1
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.023 0.0734
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.023 0.141
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0119 0.0392
Echinococcus granulosus dna polymerase kappa 0.0039 0.023 0.0786
Schistosoma mansoni terminal deoxycytidyl transferase 0.0039 0.023 0.0702
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0145 0.1162 0.3912
Brugia malayi TAR-binding protein 0.0065 0.0457 0.1484
Echinococcus granulosus histone acetyltransferase KAT2B 0.0141 0.1126 0.3845
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0457 0.1562
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0097 0.0369
Brugia malayi MH2 domain containing protein 0.0024 0.0104 0.0316
Echinococcus multilocularis mothers against decapentaplegic 5 0.0024 0.0104 0.0354
Echinococcus granulosus smad 0.0024 0.0104 0.0354
Brugia malayi beta-lactamase 0.018 0.1472 0.483
Schistosoma mansoni smad1 5 8 and 0.0024 0.0104 0.0267
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.018 0.1472 0.1449
Echinococcus multilocularis Smad4 0.0024 0.0104 0.0354
Onchocerca volvulus 0.0026 0.0119 0.0159
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0024 0.0104 0.0354
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.1082 0.3638
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0097 0.0071
Brugia malayi MH2 domain containing protein 0.0359 0.3039 1
Schistosoma mansoni DNA polymerase eta 0.0039 0.023 0.0702
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.1082 0.3695
Echinococcus granulosus beta LACTamase domain containing family member 0.018 0.1472 0.5025
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0039 0.023 0.0786
Loa Loa (eye worm) hypothetical protein 0.0039 0.023 0.0757
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0457 0.1505
Loa Loa (eye worm) hypothetical protein 0.0024 0.0097 0.032
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0097 0.0369
Echinococcus multilocularis dna polymerase eta 0.0039 0.023 0.0786
Mycobacterium ulcerans lipase LipD 0.018 0.1472 1
Loa Loa (eye worm) hypothetical protein 0.018 0.1472 0.4843
Loa Loa (eye worm) nuclear factor I 0.0014 0.0008 0.0025
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.018 0.1472 0.483
Schistosoma mansoni lamin 0.0026 0.0119 0.0319
Loa Loa (eye worm) hypothetical protein 0.018 0.1472 0.4843
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0097 0.0295
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0124 0.0678
Brugia malayi MH1 domain containing protein 0.0024 0.0104 0.0316
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0457 0.1486
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0316 0.0998
Schistosoma mansoni hypothetical protein 0.0346 0.2929 1
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0012 0.0015
Trichomonas vaginalis D-aminoacylase, putative 0.018 0.1472 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0097 0.0369
Trichomonas vaginalis D-aminoacylase, putative 0.018 0.1472 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0026 0.009
Onchocerca volvulus 0.0026 0.0119 0.0159
Trypanosoma cruzi hypothetical protein, conserved 0.018 0.1472 1
Schistosoma mansoni smad 0.0024 0.0104 0.0267
Echinococcus multilocularis smad 0.0024 0.0104 0.0354
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0263 0.164
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.023 0.141
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0039 0.023 0.0757
Trichomonas vaginalis D-aminoacylase, putative 0.018 0.1472 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0024 0.0104 0.0341
Echinococcus granulosus lamin dm0 0.0026 0.0119 0.0406
Loa Loa (eye worm) Smad1 0.0024 0.0104 0.0341
Echinococcus granulosus Smad4 0.0024 0.0104 0.0354
Loa Loa (eye worm) beta-lactamase 0.018 0.1472 0.4843
Brugia malayi MH1 domain containing protein 0.0024 0.0104 0.0316
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.023 0.13
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.023 0.141
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0025
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0024 0.0104 0.0267
Mycobacterium tuberculosis Probable conserved lipoprotein 0.018 0.1472 0.1449
Loa Loa (eye worm) hypothetical protein 0.018 0.1472 0.4843
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.023 0.141
Loa Loa (eye worm) hypothetical protein 0.0026 0.0119 0.0392
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0036 0.001
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0124 0.0678
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.023 0.141
Schistosoma mansoni smad1 5 8 and 0.0024 0.0104 0.0267
Mycobacterium tuberculosis Probable lipase LipD 0.018 0.1472 0.1449
Echinococcus multilocularis dna polymerase kappa 0.0039 0.023 0.0786
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.023 0.141
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0039 0.023 0.0702
Mycobacterium leprae conserved hypothetical protein 0.018 0.1472 1
Trypanosoma brucei hypothetical protein, conserved 0.018 0.1472 1
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.023 0.0734
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0232 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0045 0.0147
Loa Loa (eye worm) transcription factor SMAD2 0.0359 0.3039 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0097 0.0295
Leishmania major DNA polymerase eta, putative 0.0039 0.023 0.141
Schistosoma mansoni smad1 5 8 and 0.0024 0.0104 0.0267
Loa Loa (eye worm) hypothetical protein 0.018 0.1472 0.4843
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0263 0.0899
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0136 0.1082 0.3562
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0026 0.0086
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0097 0.0491
Mycobacterium ulcerans beta-lactamase 0.018 0.1472 1
Trypanosoma brucei DNA polymerase eta, putative 0.0039 0.023 0.141
Loa Loa (eye worm) hypothetical protein 0.0024 0.0097 0.032
Echinococcus granulosus intermediate filament protein 0.0026 0.0119 0.0406
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.023 0.141
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0097 0.0071
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.023 0.141
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.1082 0.3638
Loa Loa (eye worm) hypothetical protein 0.0018 0.0045 0.0147
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0457 0.1505
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0145 0.1162 0.3966
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.023 0.141
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0039 0.023 0.0204
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.023 0.141
Plasmodium vivax hypothetical protein, conserved 0.018 0.1472 1
Toxoplasma gondii ABC1 family protein 0.018 0.1472 1
Mycobacterium ulcerans hypothetical protein 0.0024 0.0097 0.0369
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.023 0.141
Onchocerca volvulus 0.018 0.1472 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0036 0.001
Loa Loa (eye worm) hypothetical protein 0.0018 0.0045 0.0147
Mycobacterium ulcerans hypothetical protein 0.018 0.1472 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0026 0.009
Echinococcus multilocularis lamin 0.0026 0.0119 0.0406
Echinococcus granulosus dna polymerase eta 0.0039 0.023 0.0786
Mycobacterium ulcerans esterase/lipase LipP 0.018 0.1472 1
Brugia malayi Smad1 0.0024 0.0104 0.0316
Schistosoma mansoni intermediate filament proteins 0.0026 0.0119 0.0319
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0457 0.1486
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0039 0.023 0.141
Loa Loa (eye worm) hypothetical protein 0.018 0.1472 0.4843
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.023 0.13
Schistosoma mansoni Smad4 0.0024 0.0104 0.0267
Echinococcus granulosus tumor protein p63 0.0332 0.2805 0.9577
Brugia malayi RNA binding protein 0.0065 0.0457 0.1484
Brugia malayi acetyltransferase, GNAT family protein 0.0145 0.1162 0.3807
Mycobacterium tuberculosis Conserved protein 0.018 0.1472 0.1449
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0036 0.001
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.1082 0.3695
Schistosoma mansoni hypothetical protein 0.0346 0.2929 1
Brugia malayi beta-lactamase family protein 0.018 0.1472 0.483
Trichomonas vaginalis penicillin-binding protein, putative 0.018 0.1472 1
Brugia malayi intermediate filament protein 0.0026 0.0119 0.0367
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0263 0.164
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0045 0.5
Leishmania major hypothetical protein, conserved 0.018 0.1472 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0097 0.0369
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0026 0.009
Loa Loa (eye worm) acetyltransferase 0.0145 0.1162 0.3823
Loa Loa (eye worm) MH2 domain-containing protein 0.0359 0.3039 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0045 0.0127
Brugia malayi beta-lactamase family protein 0.018 0.1472 0.483
Mycobacterium tuberculosis Conserved hypothetical protein 0.0039 0.023 0.0204
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0097 0.0295
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.023 0.141
Schistosoma mansoni lamin 0.0026 0.0119 0.0319
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.1082 0.3638
Onchocerca volvulus 0.018 0.1472 1
Trypanosoma brucei unspecified product 0.0027 0.0124 0.0678
Loa Loa (eye worm) hypothetical protein 0.0018 0.0045 0.0147
Echinococcus granulosus mothers against decapentaplegic 5 0.0024 0.0104 0.0354
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0263 0.0267
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0457 0.1486
Loa Loa (eye worm) hypothetical protein 0.0018 0.0045 0.0147
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.018 0.1472 0.498
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0097 0.0369
Echinococcus granulosus lamin 0.0026 0.0119 0.0406
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0124 0.0678
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0026 0.0061
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.023 0.141
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0457 0.1484
Leishmania major DNA polymerase kappa, putative 0.0039 0.023 0.141
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0097 0.0491
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0232 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0036 0.001
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.1082 0.3695
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0097 0.0491
Onchocerca volvulus 0.0049 0.0316 0.1591
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.023 0.141
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0097 0.0369
Trypanosoma brucei unspecified product 0.0039 0.023 0.141
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0026 0.009
Mycobacterium tuberculosis Probable hydrolase 0.018 0.1472 0.1449
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.023 0.141
Trypanosoma brucei unspecified product 0.0027 0.0124 0.0678
Mycobacterium tuberculosis Conserved protein 0.018 0.1472 0.1449
Loa Loa (eye worm) RNA binding protein 0.0065 0.0457 0.1505
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.018 0.1472 0.498
Loa Loa (eye worm) hypothetical protein 0.0024 0.0097 0.032
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0097 0.0369
Echinococcus multilocularis beta LACTamase domain containing family member 0.018 0.1472 0.5025
Echinococcus multilocularis musashi 0.0026 0.0119 0.0406
Loa Loa (eye worm) hypothetical protein 0.0049 0.0316 0.1039
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.023 0.141
Entamoeba histolytica deoxycytidyl transferase, putative 0.0039 0.023 0.9854
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.1082 0.3695
Mycobacterium tuberculosis Probable lipase LipE 0.018 0.1472 0.1449
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0457 0.1486
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0457 0.1486
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0039 0.023 0.0786
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0012 0.004
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0136 0.1082 0.3545
Mycobacterium tuberculosis Probable esterase LipL 0.018 0.1472 0.1449
Onchocerca volvulus 0.018 0.1472 1
Echinococcus multilocularis geminin 0.0346 0.2929 1
Brugia malayi isocitrate dehydrogenase 0.0016 0.0026 0.0061
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.018 0.1472 0.4843
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0263 0.0267
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0045 0.0889
Trichomonas vaginalis penicillin-binding protein, putative 0.018 0.1472 1
Echinococcus multilocularis tumor protein p63 0.0332 0.2805 0.9577
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0263 0.164
Loa Loa (eye worm) hypothetical protein 0.018 0.1472 0.4843
Trypanosoma cruzi DNA polymerase eta, putative 0.0039 0.023 0.141
Loa Loa (eye worm) hypothetical protein 0.0026 0.0115 0.0378
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0119 0.0367
Echinococcus granulosus TGF beta signal transducer SmadC 0.0024 0.0104 0.0354
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0119 0.0392
Loa Loa (eye worm) MH1 domain-containing protein 0.0024 0.0104 0.0341

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.