Detailed information for compound 1940410

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 345.396 | Formula: C17H23N5O3
  • H donors: 1 H acceptors: 3 LogP: 0.18 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN1CCCn2c(C1)nc(CNC(=O)c1cnoc1C)cc2=O
  • InChi: 1S/C17H23N5O3/c1-3-5-21-6-4-7-22-15(11-21)20-13(8-16(22)23)9-18-17(24)14-10-19-25-12(14)2/h8,10H,3-7,9,11H2,1-2H3,(H,18,24)
  • InChiKey: JLOYUHISLGIHCM-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
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0049 0.0192 0.1004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.007 0.021
Echinococcus multilocularis Smad4 0.0035 0.011 0.0233
Mycobacterium ulcerans lipase LipD 0.0119 0.0623 0.187
Giardia lamblia GTOR 0.0049 0.0192 1
Mycobacterium ulcerans beta-lactamase 0.0119 0.0623 0.187
Mycobacterium tuberculosis Probable esterase LipL 0.0119 0.0623 0.1367
Brugia malayi hypothetical protein 0.0116 0.0602 0.0602
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0128 0.0678 0.1488
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0115 0.0346
Schistosoma mansoni smad 0.0035 0.011 0.0233
Loa Loa (eye worm) phosphatidylinositol 3 0.0049 0.0192 0.0541
Trypanosoma cruzi target of rapamycin kinase 3 0.0039 0.0131 0.0685
Loa Loa (eye worm) beta-lactamase 0.0119 0.0623 0.1839
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0137 0.0735 0.1566
Echinococcus granulosus microtubule associated protein 2 0.0781 0.4694 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0072 0.0215
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0049 0.0192 0.0409
Plasmodium vivax thioredoxin reductase, putative 0.005 0.0202 0.3249
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0054 0.0163
Trypanosoma brucei trypanothione reductase 0.005 0.0202 0.1058
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0329 0.1912 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0049 0.0192 0.1004
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0128 0.0678 0.1488
Mycobacterium tuberculosis Probable hydrolase 0.0119 0.0623 0.1367
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.002 0.0017 0.0089
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0049 0.0192 0.1004
Brugia malayi beta-lactamase 0.0119 0.0623 0.0623
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0072 0.0215
Brugia malayi MH1 domain containing protein 0.0035 0.011 0.011
Schistosoma mansoni glutaminase 0.0559 0.3329 0.7092
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0046 0.0177 0.0924
Loa Loa (eye worm) glutaminase 2 0.0559 0.3329 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0131 0.0393
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0192 0.0577
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0054 0.0162
Brugia malayi beta-lactamase family protein 0.0119 0.0623 0.0623
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0119 0.0623 0.187
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0049 0.0192 0.0192
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0119 0.0623 0.1367
Loa Loa (eye worm) hypothetical protein 0.0119 0.0623 0.1839
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0128 0.0678 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0119 0.0623 0.0623
Loa Loa (eye worm) hypothetical protein 0.0119 0.0623 0.1839
Echinococcus granulosus smad 0.0035 0.011 0.0233
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0116 0.0602 0.1283
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0049 0.0192 0.0409
Entamoeba histolytica hypothetical protein 0.0116 0.0602 1
Trypanosoma brucei hypothetical protein, conserved 0.0119 0.0623 0.3255
Echinococcus granulosus TGF beta signal transducer SmadC 0.0035 0.011 0.0233
Entamoeba histolytica hypothetical protein 0.0116 0.0602 1
Mycobacterium leprae Probable lipase LipE 0.0119 0.0623 0.3008
Schistosoma mansoni smad1 5 8 and 0.0035 0.011 0.0233
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0087 0.0261
Mycobacterium tuberculosis Probable oxidoreductase 0.0128 0.0678 0.1488
Brugia malayi MH1 domain containing protein 0.0035 0.011 0.011
Mycobacterium ulcerans esterase/lipase LipP 0.0119 0.0623 0.187
Schistosoma mansoni Smad4 0.0035 0.011 0.0233
Plasmodium vivax glutathione reductase, putative 0.005 0.0202 0.3249
Brugia malayi glutathione reductase 0.005 0.0202 0.0202
Echinococcus multilocularis thyroid hormone receptor alpha 0.0148 0.0803 0.171
Mycobacterium tuberculosis Probable lipase LipD 0.0119 0.0623 0.1367
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0192 0.0577
Mycobacterium ulcerans hypothetical protein 0.0119 0.0623 0.187
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0759 0.4555 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0054 0.0162
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0115 0.0599 0.1315
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0115 0.0346
Plasmodium vivax hypothetical protein, conserved 0.0119 0.0623 1
Brugia malayi Thioredoxin reductase 0.005 0.0202 0.0202
Loa Loa (eye worm) MH1 domain-containing protein 0.0035 0.011 0.0292
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0046 0.0177 0.0924
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.0202 0.1058
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.0202 0.0444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0054 0.0163
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0035 0.011 0.0233
Brugia malayi MH1 domain containing protein 0.002 0.0013 0.0013
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0039 0.0131 0.0685
Echinococcus multilocularis mothers against decapentaplegic 5 0.0035 0.011 0.0233
Loa Loa (eye worm) MH2 domain-containing protein 0.0518 0.3075 0.9234
Brugia malayi MH2 domain containing protein 0.0035 0.011 0.011
Trichomonas vaginalis D-aminoacylase, putative 0.0119 0.0623 0.187
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.007 0.021
Schistosoma mansoni hypothetical protein 0.0116 0.0602 0.1283
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0156 0.0848 0.4437
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0119 0.0623 0.1326
Brugia malayi MH2 domain containing protein 0.0035 0.011 0.011
Toxoplasma gondii hypothetical protein 0.0053 0.0218 0.3509
Loa Loa (eye worm) hypothetical protein 0.0119 0.0623 0.1839
Brugia malayi MH1 domain containing protein 0.002 0.0013 0.0013
Trichomonas vaginalis D-aminoacylase, putative 0.0119 0.0623 0.187
Mycobacterium tuberculosis Probable lipase LipE 0.0119 0.0623 0.1367
Toxoplasma gondii target of rapamycin (TOR), putative 0.0036 0.0115 0.1852
Onchocerca volvulus 0.0119 0.0623 0.5
Toxoplasma gondii ABC1 family protein 0.0119 0.0623 1
Mycobacterium tuberculosis Conserved protein 0.0119 0.0623 0.1367
Schistosoma mansoni thyroid hormone receptor 0.0148 0.0803 0.171
Mycobacterium tuberculosis Probable reductase 0.0115 0.0599 0.1315
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0177 0.0924
Mycobacterium tuberculosis Conserved protein 0.0119 0.0623 0.1367
Brugia malayi MH2 domain containing protein 0.0518 0.3075 0.3075
Trichomonas vaginalis esterase, putative 0.0119 0.0623 0.187
Loa Loa (eye worm) Smad1 0.0035 0.011 0.0292
Loa Loa (eye worm) transcription factor SMAD2 0.0518 0.3075 0.9234
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0056 0.0239 0.1249
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0115 0.0346
Onchocerca volvulus 0.0119 0.0623 0.5
Schistosoma mansoni smad1 5 8 and 0.0035 0.011 0.0233
Loa Loa (eye worm) thioredoxin reductase 0.005 0.0202 0.0572
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0049 0.0192 0.1004
Mycobacterium tuberculosis Probable dehydrogenase 0.0115 0.0599 0.1315
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0329 0.1912 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0119 0.0623 0.187
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0177 0.0924
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0023 0.0034 0.0179
Plasmodium falciparum glutathione reductase 0.005 0.0202 1
Leishmania major mitochondrial DNA polymerase beta 0.0329 0.1912 1
Schistosoma mansoni microtubule-associated protein tau 0.0781 0.4694 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0049 0.0192 0.1004
Leishmania major trypanothione reductase 0.005 0.0202 0.1058
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0137 0.0735 0.1566
Echinococcus granulosus Smad4 0.0035 0.011 0.0233
Toxoplasma gondii thioredoxin reductase 0.005 0.0202 0.3249
Mycobacterium tuberculosis Conserved hypothetical protein 0.0173 0.0956 0.21
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0115 0.0346
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0148 0.0445
Echinococcus multilocularis beta LACTamase domain containing family member 0.0119 0.0623 0.1326
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0115 0.0599 0.1315
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0093 0.0281
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0072 0.0215
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0131 0.0393
Leishmania major hypothetical protein, conserved 0.0119 0.0623 0.3255
Entamoeba histolytica hypothetical protein 0.0116 0.0602 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0035 0.011 0.0292
Trypanosoma cruzi hypothetical protein, conserved 0.0119 0.0623 0.3255
Onchocerca volvulus 0.0119 0.0623 0.5
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0119 0.0623 0.1367
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0039 0.0131 0.0685
Mycobacterium leprae conserved hypothetical protein 0.0119 0.0623 0.3008
Mycobacterium tuberculosis Conserved protein 0.0119 0.0623 0.1367
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0156 0.0848 0.4437
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0192 0.0577
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0115 0.0346
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0131 0.0393
Schistosoma mansoni transcription factor LCR-F1 0.0116 0.0602 0.1283
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0115 0.0599 0.1315
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0115 0.0346
Plasmodium falciparum thioredoxin reductase 0.005 0.0202 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0131 0.0393
Trichomonas vaginalis penicillin-binding protein, putative 0.0119 0.0623 0.187
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0115 0.0599 0.1315
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0054 0.0163
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0035 0.011 0.0233
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0119 0.0623 0.1326
Trypanosoma cruzi hypothetical protein, conserved 0.0119 0.0623 0.3255
Loa Loa (eye worm) hypothetical protein 0.0119 0.0623 0.1839
Brugia malayi glutaminase DH11.1 0.0559 0.3329 0.3329
Schistosoma mansoni smad1 5 8 and 0.0035 0.011 0.0233
Trichomonas vaginalis glutaminase, putative 0.0559 0.3329 1
Trichomonas vaginalis D-aminoacylase, putative 0.0119 0.0623 0.187
Schistosoma mansoni thyroid hormone receptor 0.0148 0.0803 0.171
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0116 0.0602 0.1283
Brugia malayi beta-lactamase family protein 0.0119 0.0623 0.0623
Echinococcus multilocularis microtubule associated protein 2 0.0781 0.4694 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0115 0.0346
Mycobacterium ulcerans glutaminase 0.0559 0.3329 1
Loa Loa (eye worm) hypothetical protein 0.0119 0.0623 0.1839
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0119 0.0623 0.1367
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0156 0.0848 0.4437
Entamoeba histolytica hypothetical protein 0.0116 0.0602 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0054 0.0162
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0329 0.1912 1
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.0202 0.0431
Loa Loa (eye worm) hypothetical protein 0.0119 0.0623 0.1839
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0131 0.0393
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0054 0.0163
Echinococcus granulosus mothers against decapentaplegic 5 0.0035 0.011 0.0233
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0049 0.0192 0.1004
Loa Loa (eye worm) glutathione reductase 0.005 0.0202 0.0572
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0049 0.0192 0.0409
Schistosoma mansoni hypothetical protein 0.0137 0.0735 0.1566
Brugia malayi Smad1 0.0035 0.011 0.011
Mycobacterium ulcerans hypothetical protein 0.0173 0.0956 0.2873
Loa Loa (eye worm) glutaminase 0.0559 0.3329 1
Echinococcus multilocularis smad 0.0035 0.011 0.0233
Echinococcus granulosus beta LACTamase domain containing family member 0.0119 0.0623 0.1326
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0119 0.0623 0.1839
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.0202 0.0431

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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