Detailed information for compound 1180891

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 253.299 | Formula: C15H15N3O
  • H donors: 0 H acceptors: 2 LogP: 1.98 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C(C)C(=C)N(C1=O)c1ccc(cc1)N(C)C
  • InChi: 1S/C15H15N3O/c1-10-11(2)18(15(19)14(10)9-16)13-7-5-12(6-8-13)17(3)4/h5-8H,2H2,1,3-4H3
  • InChiKey: SVKFLPGSJLJPCL-UHFFFAOYSA-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
Mycobacterium tuberculosis Probable lipase LipD 0.0074 0.0901 0.0457
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0106 0.1492 0.1492
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0901 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0762 0.0503
Toxoplasma gondii ABC1 family protein 0.0074 0.0901 0.1505
Brugia malayi beta-lactamase family protein 0.0074 0.0901 0.0901
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0901 0.0901
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.015 0.2309 0.2309
Onchocerca volvulus 0.0053 0.0509 0.1938
Brugia malayi thymidylate synthase 0.0106 0.1492 0.1492
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0405 0.0405
Entamoeba histolytica hypothetical protein 0.004 0.0273 1
Schistosoma mansoni hypothetical protein 0.004 0.0273 0.0273
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0273 0.0273
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0901 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0349 0.5987 1
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.0268 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0223 0.0223
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.0762 0.0312
Brugia malayi bHLH-PAS transcription factor 0.004 0.0273 0.0273
Onchocerca volvulus 0.0074 0.0901 0.515
Schistosoma mansoni survival motor neuron protein 0.0053 0.0509 0.0509
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.0268 0.9808
Loa Loa (eye worm) hypothetical protein 0.0074 0.0901 0.0852
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0089 0.1183 0.1183
Mycobacterium ulcerans hydrolase 0.0051 0.0484 0.0217
Loa Loa (eye worm) carbonic anhydrase 3 0.019 0.3044 0.3007
Echinococcus granulosus carbonic anhydrase II 0.019 0.3044 0.3044
Echinococcus multilocularis zinc finger protein 0.0027 0.0029 0.0029
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0106 0.1492 0.1077
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.015 0.2309 0.2309
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0349 0.5987 1
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0901 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0901 0.0852
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.019 0.3044 0.5085
Echinococcus granulosus carbonic anhydrase 0.0089 0.1183 0.1183
Leishmania major hypothetical protein, conserved 0.0074 0.0901 0.0701
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0259 0.432 0.4289
Mycobacterium tuberculosis Conserved protein 0.0074 0.0901 0.0457
Onchocerca volvulus Matrilysin homolog 0.0094 0.1265 0.8138
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0405 0.0405
Loa Loa (eye worm) hypothetical protein 0.0089 0.1183 0.1135
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0762 0.0762
Schistosoma mansoni bromodomain containing protein 0.0079 0.0988 0.0988
Loa Loa (eye worm) hypothetical protein 0.0051 0.0484 0.0433
Loa Loa (eye worm) hypothetical protein 0.0046 0.0375 0.0323
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0517 0.0864
Loa Loa (eye worm) hypoxia-induced factor 1 0.0168 0.2629 0.2589
Brugia malayi Hemopexin family protein 0.006 0.064 0.064
Echinococcus granulosus survival motor neuron protein 1 0.0259 0.432 0.432
Mycobacterium leprae conserved hypothetical protein 0.0074 0.0901 0.0438
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0154 0.2372 0.2372
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0321 0.0321
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0349 0.5987 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0542 0.0542
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.0901 0.0901
Loa Loa (eye worm) beta-lactamase 0.0074 0.0901 0.0852
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.0517 0.0864
Brugia malayi Bromodomain containing protein 0.0093 0.1245 0.1245
Loa Loa (eye worm) hypothetical protein 0.0089 0.1183 0.1135
Brugia malayi PHD-finger family protein 0.0033 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.0055 0.0542 0.0491
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0106 0.1492 0.1059
Echinococcus granulosus thymidylate synthase 0.0106 0.1492 0.1492
Brugia malayi Matrixin family protein 0.0042 0.0314 0.0314
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0517 0.0781
Echinococcus granulosus carbonic anhydrase 0.0089 0.1183 0.1183
Echinococcus multilocularis carbonic anhydrase 0.0089 0.1183 0.1183
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0089 0.1183 0.1183
Brugia malayi hypothetical protein 0.0053 0.0517 0.0517
Echinococcus multilocularis geminin 0.0541 0.9527 0.9527
Schistosoma mansoni single-minded 0.0054 0.0533 0.0533
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.0386 0.0386
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0054 0.0054
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.0509 0.0509
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.0386 0.0645
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0405 0.0405
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0349 0.5987 1
Schistosoma mansoni carbonic anhydrase-related 0.0089 0.1183 0.1183
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.0386 0.0645
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0154 0.2372 0.2372
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.019 0.3044 0.3007
Onchocerca volvulus 0.0074 0.0901 0.515
Schistosoma mansoni carbonic anhydrase 0.0089 0.1183 0.1183
Brugia malayi hypothetical protein 0.0182 0.2888 0.2888
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.005 0.0465 0.0777
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0542 0.0491
Mycobacterium tuberculosis Probable esterase LipL 0.0074 0.0901 0.0457
Onchocerca volvulus 0.0106 0.1492 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.0762 0.0448
Brugia malayi Matrixin family protein 0.0042 0.0314 0.0314
Entamoeba histolytica hypothetical protein 0.004 0.0273 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0301 0.509 0.5064
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0762 0.0503
Mycobacterium ulcerans hypothetical protein 0.0074 0.0901 0.0645
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0075 0.0909 0.0909
Loa Loa (eye worm) acetyltransferase 0.015 0.2309 0.2268
Schistosoma mansoni hypothetical protein 0.0037 0.0223 0.0223
Mycobacterium ulcerans thymidylate synthase 0.0106 0.1492 0.1253
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0074 0.0901 0.0457
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.019 0.3044 0.3044
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0901 0.1505
Loa Loa (eye worm) hypothetical protein 0.0054 0.0535 0.0484
Brugia malayi RNA, U transporter 1 0.008 0.1013 0.1013
Toxoplasma gondii hypothetical protein 0.0089 0.1183 0.1975
Onchocerca volvulus 0.0074 0.0901 0.515
Echinococcus multilocularis carbonic anhydrase II 0.019 0.3044 0.3044
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0405 0.0405
Loa Loa (eye worm) hypothetical protein 0.0074 0.0901 0.0852
Echinococcus granulosus carbonic anhydrase 0.0089 0.1183 0.1183
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0405 0.0405
Brugia malayi Matrixin family protein 0.0102 0.1421 0.1421
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0074 0.0901 0.0457
Brugia malayi acetyltransferase, GNAT family protein 0.015 0.2309 0.2309
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.0901 0.1505
Echinococcus granulosus snurportin 1 0.0301 0.509 0.509
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0349 0.5987 1
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0045 0.0357 0.0357
Brugia malayi beta-lactamase 0.0074 0.0901 0.0901
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0054 0.009
Echinococcus multilocularis carbonic anhydrase 0.0089 0.1183 0.1183
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0517 0.0781
Trichomonas vaginalis esterase, putative 0.0074 0.0901 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0901 0.0901
Onchocerca volvulus 0.0042 0.0314 0.0334
Loa Loa (eye worm) hypothetical protein 0.0042 0.0314 0.0262
Schistosoma mansoni hypothetical protein 0.0089 0.1183 0.1183
Schistosoma mansoni hypothetical protein 0.006 0.064 0.064
Plasmodium vivax hypothetical protein, conserved 0.0074 0.0901 0.1428
Brugia malayi Putative carbonic anhydrase 5 precursor 0.019 0.3044 0.3044
Mycobacterium tuberculosis Conserved protein 0.0074 0.0901 0.0457
Mycobacterium ulcerans lipase LipD 0.0074 0.0901 0.0645
Schistosoma mansoni zinc finger protein 0.0027 0.0029 0.0029
Schistosoma mansoni hypothetical protein 0.0541 0.9527 0.9527
Trichomonas vaginalis conserved hypothetical protein 0.005 0.0465 0.5161
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0901 0.1505
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0054 0.009
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0762 0.0762
Mycobacterium ulcerans esterase/lipase LipP 0.0074 0.0901 0.0645
Echinococcus granulosus geminin 0.0541 0.9527 0.9527
Onchocerca volvulus Matrix metalloproteinase homolog 0.0094 0.1265 0.8138
Brugia malayi Matrixin family protein 0.0042 0.0314 0.0314
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0901 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0089 0.1183 0.1183
Schistosoma mansoni hypothetical protein 0.0541 0.9527 0.9527
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0321 0.0321
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0901 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.0901 0.0901
Loa Loa (eye worm) hypothetical protein 0.0074 0.0901 0.0852
Onchocerca volvulus 0.006 0.064 0.3012
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.019 0.3044 0.3044
Brugia malayi hypothetical protein 0.005 0.0465 0.0465
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.0762 0.0762
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.019 0.3044 0.3044
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0273 0.0273
Brugia malayi hypothetical protein 0.0034 0.0168 0.0168
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0074 0.0901 0.0457
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0762 0.0503
Entamoeba histolytica hypothetical protein 0.004 0.0273 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0901 0.0852
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0405 0.0354
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.0517 0.0781
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0027 0.0027
Echinococcus granulosus importin subunit beta 1 0.0028 0.0054 0.0054
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0542 0.0542
Loa Loa (eye worm) matrixin family protein 0.0094 0.1265 0.1218
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0051 0.0484 0.002
Echinococcus granulosus single minded 2 0.004 0.0273 0.0273
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.0268 0.036
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0042 0.0314 0.0314
Brugia malayi hypothetical protein 0.004 0.0273 0.0273
Schistosoma mansoni aryl hydrocarbon receptor 0.0054 0.0533 0.0533
Echinococcus granulosus histone acetyltransferase KAT2B 0.0143 0.2181 0.2181
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.0386 0.056
Loa Loa (eye worm) hypothetical protein 0.0042 0.0314 0.0262
Echinococcus multilocularis snurportin 1 0.0301 0.509 0.509
Loa Loa (eye worm) hypothetical protein 0.0042 0.0314 0.0262
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0074 0.0901 0.0645
Leishmania major carbonic anhydrase-like protein 0.019 0.3044 0.462
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.019 0.3044 0.5085
Mycobacterium tuberculosis Probable lipase LipE 0.0074 0.0901 0.0457
Mycobacterium tuberculosis Probable hydrolase 0.0074 0.0901 0.0457
Echinococcus multilocularis carbonic anhydrase 0.0089 0.1183 0.1183
Loa Loa (eye worm) hypothetical protein 0.0182 0.2888 0.285
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.0901 0.0852
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0046 0.0386 0.4287
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0517 0.0864
Plasmodium falciparum carbonic anhydrase 0.0089 0.1183 0.1903
Echinococcus multilocularis thymidylate synthase 0.0106 0.1492 0.1492
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0273 0.0273
Entamoeba histolytica hypothetical protein 0.004 0.0273 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0349 0.5987 1
Echinococcus multilocularis survival motor neuron protein 1 0.0259 0.432 0.432
Trichomonas vaginalis bromodomain-containing protein, putative 0.0046 0.0386 0.4287
Schistosoma mansoni carbonic anhydrase-related 0.0089 0.1183 0.1183
Echinococcus multilocularis transfer RNA-Lys 0.004 0.0273 0.0273
Brugia malayi PAS domain containing protein 0.0054 0.0533 0.0533
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.0762 0.0762
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0089 0.1183 0.1183
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0089 0.1183 0.1183
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0405 0.0405
Brugia malayi hypothetical protein 0.0259 0.432 0.432
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.0517 0.0864
Echinococcus granulosus zinc finger protein 0.0027 0.0029 0.0029
Brugia malayi Matrixin family protein 0.0042 0.0314 0.0314
Mycobacterium ulcerans beta-lactamase 0.0074 0.0901 0.0645
Loa Loa (eye worm) hypothetical protein 0.0089 0.1183 0.1135
Loa Loa (eye worm) hypothetical protein 0.0084 0.1084 0.1036
Mycobacterium tuberculosis Conserved protein 0.0074 0.0901 0.0457
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0405 0.0405
Loa Loa (eye worm) hypothetical protein 0.0053 0.0517 0.0466
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.0762 0.1273
Schistosoma mansoni carbonic anhydrase-related 0.0089 0.1183 0.1183
Loa Loa (eye worm) hypothetical protein 0.0052 0.0493 0.0442
Brugia malayi hypoxia-induced factor 1 0.0168 0.2629 0.2629
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0089 0.1183 0.1135
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0405 0.0405
Schistosoma mansoni hypothetical protein 0.0053 0.0509 0.0509
Trypanosoma brucei carbonic anhydrase-like protein 0.019 0.3044 0.5085
Loa Loa (eye worm) hypothetical protein 0.0074 0.0901 0.0852
Schistosoma mansoni importin beta-1 0.0028 0.0054 0.0054
Loa Loa (eye worm) matrix metalloproteinase 0.0042 0.0314 0.0262
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0473 0.8272 0.8187
Brugia malayi Bromodomain containing protein 0.0049 0.044 0.044
Onchocerca volvulus Matrilysin homolog 0.0042 0.0314 0.0334
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.0901 0.0901
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0051 0.0484 0.0484
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0027 0.0027
Schistosoma mansoni hypothetical protein 0.0301 0.509 0.509
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0075 0.0909 0.0909
Loa Loa (eye worm) matrixin family protein 0.0102 0.1421 0.1375
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0054 0.009
Brugia malayi Importin beta-1 subunit 0.0028 0.0054 0.0054
Loa Loa (eye worm) thymidylate synthase 0.0106 0.1492 0.1446
Loa Loa (eye worm) hypothetical protein 0.0037 0.0223 0.017
Brugia malayi beta-lactamase family protein 0.0074 0.0901 0.0901
Mycobacterium leprae Probable lipase LipE 0.0074 0.0901 0.0438

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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