Detailed information for compound 1940697

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 331.37 | Formula: C16H21N5O3
  • H donors: 1 H acceptors: 3 LogP: -0.35 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCCn2c(C1)nc(CNC(=O)c1cnoc1C)cc2=O
  • InChi: 1S/C16H21N5O3/c1-3-20-5-4-6-21-14(10-20)19-12(7-15(21)22)8-17-16(23)13-9-18-24-11(13)2/h7,9H,3-6,8,10H2,1-2H3,(H,17,23)
  • InChiKey: UCNMDKVTCPLCEX-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
Loa Loa (eye worm) hypothetical protein 0.0119 0.0623 0.1839
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0119 0.0623 0.1326
Brugia malayi MH1 domain containing protein 0.002 0.0013 0.0013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0131 0.0393
Brugia malayi MH1 domain containing protein 0.0035 0.011 0.011
Brugia malayi beta-lactamase 0.0119 0.0623 0.0623
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0056 0.0239 0.1249
Trypanosoma brucei hypothetical protein, conserved 0.0119 0.0623 0.3255
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.0202 0.0444
Entamoeba histolytica hypothetical protein 0.0116 0.0602 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0072 0.0215
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0049 0.0192 0.0409
Brugia malayi Smad1 0.0035 0.011 0.011
Mycobacterium tuberculosis Probable oxidoreductase 0.0128 0.0678 0.1488
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.002 0.0017 0.0089
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0054 0.0163
Mycobacterium ulcerans hypothetical protein 0.0173 0.0956 0.2873
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0087 0.0261
Trichomonas vaginalis glutaminase, putative 0.0559 0.3329 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0035 0.011 0.0233
Loa Loa (eye worm) hypothetical protein 0.0119 0.0623 0.1839
Plasmodium vivax glutathione reductase, putative 0.005 0.0202 0.3249
Onchocerca volvulus 0.0119 0.0623 0.5
Leishmania major mitochondrial DNA polymerase beta 0.0329 0.1912 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0035 0.011 0.0292
Brugia malayi Thioredoxin reductase 0.005 0.0202 0.0202
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0054 0.0162
Onchocerca volvulus 0.0119 0.0623 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0072 0.0215
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0137 0.0735 0.1566
Trypanosoma cruzi hypothetical protein, conserved 0.0119 0.0623 0.3255
Mycobacterium tuberculosis Probable esterase LipL 0.0119 0.0623 0.1367
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0759 0.4555 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0035 0.011 0.0233
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0115 0.0346
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0128 0.0678 1
Loa Loa (eye worm) beta-lactamase 0.0119 0.0623 0.1839
Loa Loa (eye worm) glutaminase 0.0559 0.3329 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0049 0.0192 0.1004
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0116 0.0602 0.1283
Trichomonas vaginalis D-aminoacylase, putative 0.0119 0.0623 0.187
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0046 0.0177 0.0924
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0035 0.011 0.0233
Plasmodium falciparum thioredoxin reductase 0.005 0.0202 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.007 0.021
Loa Loa (eye worm) transcription factor SMAD2 0.0518 0.3075 0.9234
Mycobacterium ulcerans beta-lactamase 0.0119 0.0623 0.187
Plasmodium vivax thioredoxin reductase, putative 0.005 0.0202 0.3249
Toxoplasma gondii ABC1 family protein 0.0119 0.0623 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0039 0.0131 0.0685
Brugia malayi MH2 domain containing protein 0.0035 0.011 0.011
Mycobacterium tuberculosis Conserved protein 0.0119 0.0623 0.1367
Echinococcus multilocularis beta LACTamase domain containing family member 0.0119 0.0623 0.1326
Plasmodium falciparum glutathione reductase 0.005 0.0202 1
Mycobacterium ulcerans glutaminase 0.0559 0.3329 1
Schistosoma mansoni microtubule-associated protein tau 0.0781 0.4694 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0054 0.0162
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0023 0.0034 0.0179
Loa Loa (eye worm) phosphatidylinositol 3 0.0049 0.0192 0.0541
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0115 0.0346
Toxoplasma gondii target of rapamycin (TOR), putative 0.0036 0.0115 0.1852
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0156 0.0848 0.4437
Mycobacterium ulcerans hypothetical protein 0.0119 0.0623 0.187
Schistosoma mansoni smad1 5 8 and 0.0035 0.011 0.0233
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0115 0.0346
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0054 0.0163
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0119 0.0623 0.1839
Trypanosoma cruzi target of rapamycin kinase 3 0.0039 0.0131 0.0685
Brugia malayi MH1 domain containing protein 0.0035 0.011 0.011
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0116 0.0602 0.1283
Leishmania major hypothetical protein, conserved 0.0119 0.0623 0.3255
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0156 0.0848 0.4437
Entamoeba histolytica hypothetical protein 0.0116 0.0602 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0131 0.0393
Mycobacterium tuberculosis Probable dehydrogenase 0.0115 0.0599 0.1315
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0131 0.0393
Schistosoma mansoni thyroid hormone receptor 0.0148 0.0803 0.171
Brugia malayi hypothetical protein 0.0116 0.0602 0.0602
Brugia malayi glutathione reductase 0.005 0.0202 0.0202
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0119 0.0623 0.0623
Mycobacterium tuberculosis Conserved protein 0.0119 0.0623 0.1367
Mycobacterium tuberculosis Conserved protein 0.0119 0.0623 0.1367
Brugia malayi glutaminase DH11.1 0.0559 0.3329 0.3329
Schistosoma mansoni smad1 5 8 and 0.0035 0.011 0.0233
Schistosoma mansoni smad1 5 8 and 0.0035 0.011 0.0233
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0329 0.1912 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0035 0.011 0.0292
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0049 0.0192 0.0409
Mycobacterium tuberculosis Conserved hypothetical protein 0.0173 0.0956 0.21
Loa Loa (eye worm) MH2 domain-containing protein 0.0518 0.3075 0.9234
Echinococcus granulosus Smad4 0.0035 0.011 0.0233
Echinococcus multilocularis thyroid hormone receptor alpha 0.0148 0.0803 0.171
Echinococcus multilocularis microtubule associated protein 2 0.0781 0.4694 1
Schistosoma mansoni thyroid hormone receptor 0.0148 0.0803 0.171
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0049 0.0192 0.0192
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0192 0.0577
Trichomonas vaginalis D-aminoacylase, putative 0.0119 0.0623 0.187
Mycobacterium ulcerans esterase/lipase LipP 0.0119 0.0623 0.187
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0119 0.0623 0.1326
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0115 0.0599 0.1315
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0119 0.0623 0.187
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0329 0.1912 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0119 0.0623 0.187
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0049 0.0192 0.0409
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
Trypanosoma brucei trypanothione reductase 0.005 0.0202 0.1058
Brugia malayi beta-lactamase family protein 0.0119 0.0623 0.0623
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0115 0.0599 0.1315
Loa Loa (eye worm) glutaminase 2 0.0559 0.3329 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0137 0.0735 0.1566
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0054 0.0163
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0054 0.0162
Echinococcus multilocularis Smad4 0.0035 0.011 0.0233
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0054 0.0163
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0072 0.0215
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0039 0.0131 0.0685
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0119 0.0623 0.1367
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0049 0.0192 0.1004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0115 0.0346
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0128 0.0678 0.1488
Schistosoma mansoni transcription factor LCR-F1 0.0116 0.0602 0.1283
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0192 0.0577
Mycobacterium ulcerans lipase LipD 0.0119 0.0623 0.187
Echinococcus granulosus smad 0.0035 0.011 0.0233
Loa Loa (eye worm) Smad1 0.0035 0.011 0.0292
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0049 0.0192 0.1004
Toxoplasma gondii thioredoxin reductase 0.005 0.0202 0.3249
Brugia malayi MH2 domain containing protein 0.0518 0.3075 0.3075
Echinococcus granulosus microtubule associated protein 2 0.0781 0.4694 1
Schistosoma mansoni hypothetical protein 0.0137 0.0735 0.1566
Mycobacterium tuberculosis Probable lipase LipE 0.0119 0.0623 0.1367
Echinococcus granulosus beta LACTamase domain containing family member 0.0119 0.0623 0.1326
Schistosoma mansoni hypothetical protein 0.0116 0.0602 0.1283
Trichomonas vaginalis penicillin-binding protein, putative 0.0119 0.0623 0.187
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0131 0.0393
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0049 0.0192 0.1004
Entamoeba histolytica hypothetical protein 0.0116 0.0602 1
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.0202 0.0431
Schistosoma mansoni smad 0.0035 0.011 0.0233
Mycobacterium tuberculosis Probable reductase 0.0115 0.0599 0.1315
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.0202 0.0431
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0093 0.0281
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0128 0.0678 0.1488
Trichomonas vaginalis PIKK family atypical protein kinase 0.0042 0.0148 0.0445
Onchocerca volvulus 0.0119 0.0623 0.5
Echinococcus granulosus TGF beta signal transducer SmadC 0.0035 0.011 0.0233
Trypanosoma cruzi hypothetical protein, conserved 0.0119 0.0623 0.3255
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0046 0.0177 0.0924
Echinococcus multilocularis smad 0.0035 0.011 0.0233
Mycobacterium tuberculosis Probable hydrolase 0.0119 0.0623 0.1367
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0192 0.0577
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0049 0.0192 0.1004
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0177 0.0924
Trichomonas vaginalis esterase, putative 0.0119 0.0623 0.187
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0119 0.0623 0.1367
Entamoeba histolytica hypothetical protein 0.0116 0.0602 1
Toxoplasma gondii hypothetical protein 0.0053 0.0218 0.3509
Loa Loa (eye worm) hypothetical protein 0.0119 0.0623 0.1839
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0329 0.1912 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0119 0.0623 0.1367
Mycobacterium leprae Probable lipase LipE 0.0119 0.0623 0.3008
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.0202 0.1058
Leishmania major trypanothione reductase 0.005 0.0202 0.1058
Loa Loa (eye worm) hypothetical protein 0.0119 0.0623 0.1839
Mycobacterium leprae conserved hypothetical protein 0.0119 0.0623 0.3008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.007 0.021
Loa Loa (eye worm) hypothetical protein 0.0119 0.0623 0.1839
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0115 0.0346
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0115 0.0346
Trichomonas vaginalis D-aminoacylase, putative 0.0119 0.0623 0.187
Loa Loa (eye worm) glutathione reductase 0.005 0.0202 0.0572
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0156 0.0848 0.4437
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0131 0.0393
Loa Loa (eye worm) thioredoxin reductase 0.005 0.0202 0.0572
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0115 0.0599 0.1315
Mycobacterium tuberculosis Probable lipase LipD 0.0119 0.0623 0.1367
Loa Loa (eye worm) hypothetical protein 0.0119 0.0623 0.1839
Giardia lamblia GTOR 0.0049 0.0192 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0115 0.0599 0.1315
Schistosoma mansoni glutaminase 0.0559 0.3329 0.7092
Schistosoma mansoni Smad4 0.0035 0.011 0.0233
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0046 0.0177 0.0924
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0115 0.0346
Brugia malayi MH1 domain containing protein 0.002 0.0013 0.0013
Brugia malayi beta-lactamase family protein 0.0119 0.0623 0.0623
Plasmodium vivax hypothetical protein, conserved 0.0119 0.0623 1
Brugia malayi MH2 domain containing protein 0.0035 0.011 0.011

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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