Detailed information for compound 1073334

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 259.304 | Formula: C14H17N3O2
  • H donors: 1 H acceptors: 3 LogP: 1.27 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1nnn(c1)CC1Cc2c(O1)c(C)ccc2C
  • InChi: 1S/C14H17N3O2/c1-9-3-4-10(2)14-13(9)5-12(19-14)7-17-6-11(8-18)15-16-17/h3-4,6,12,18H,5,7-8H2,1-2H3
  • InChiKey: ORCBKJJWJJCLTG-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
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.233 0.2506
Echinococcus multilocularis thioredoxin glutathione reductase 0.0054 0.1945 0.1745
Trichomonas vaginalis CAMK family protein kinase 0.02 0.8566 0.8566
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0019 0.0349 0.0612
Trypanosoma cruzi polo-like protein kinase, putative 0.02 0.8566 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0245 0.0245
Onchocerca volvulus 0.0016 0.0245 0.0245
Loa Loa (eye worm) hypothetical protein 0.0016 0.0245 0.0246
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0245 0.0245
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.02 0.8566 0.8546
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0054 0.1945 0.2985
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0349 0.5
Toxoplasma gondii NADPH-glutathione reductase 0.0019 0.0349 0.0612
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1865 0.2177
Schistosoma mansoni serine/threonine protein kinase 0.02 0.8566 1
Plasmodium vivax glutathione reductase, putative 0.0054 0.1945 1
Schistosoma mansoni hypothetical protein 0.0041 0.1361 0.1589
Plasmodium falciparum glutathione reductase 0.0054 0.1945 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0245 0.0245
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.1865 0.1663
Schistosoma mansoni tar DNA-binding protein 0.0062 0.231 0.2697
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.233 0.2411
Brugia malayi serine/threonine-protein kinase plk-2 0.02 0.8566 0.8581
Schistosoma mansoni tar DNA-binding protein 0.0062 0.231 0.2697
Onchocerca volvulus Cathepsin L homolog 0.0016 0.0245 0.0245
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0826 0.3418
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0826 0.0964
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.1361 0.1363
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0777 0.0779
Trichomonas vaginalis CAMK family protein kinase 0.02 0.8566 0.8566
Trichomonas vaginalis CAMK family protein kinase 0.02 0.8566 0.8566
Loa Loa (eye worm) fibroinase 0.0016 0.0245 0.0246
Entamoeba histolytica serine/threonine protein kinase, putative 0.02 0.8566 1
Brugia malayi Papain family cysteine protease containing protein 0.0016 0.0245 0.0246
Giardia lamblia Kinase, PLK 0.02 0.8566 1
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.9982 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0349 0.5
Leishmania major cathepsin L-like protease 0.0062 0.233 0.2506
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0349 0.0125
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.231 0.2315
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.233 0.2411
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.233 0.2506
Schistosoma mansoni hypothetical protein 0.0047 0.1641 0.1915
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0019 0.0349 0.5
Onchocerca volvulus 0.0016 0.0245 0.0245
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0123 0.5072 0.8837
Onchocerca volvulus 0.0029 0.0826 0.0826
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0245 0.0245
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.02 0.8566 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0245 0.0245
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0016 0.0245 0.0246
Plasmodium falciparum glutathione reductase 0.0019 0.0349 0.0612
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0245 0.0245
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0019 0.0349 0.0612
Leishmania major cathepsin L-like protease 0.0062 0.233 0.2506
Onchocerca volvulus 0.0016 0.0245 0.0245
Brugia malayi Thioredoxin reductase 0.0054 0.1945 0.1948
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.233 0.2506
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.233 0.2411
Brugia malayi Pre-SET motif family protein 0.0203 0.8726 0.8742
Schistosoma mansoni survival motor neuron protein 0.0047 0.1641 0.1915
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0245 0.0245
Brugia malayi hypothetical protein 0.0231 0.9982 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0016 0.0245 0.0246
Brugia malayi Pre-SET motif family protein 0.0029 0.0826 0.0828
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0349 0.0408
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0349 0.0125
Echinococcus granulosus serine:threonine protein kinase PLK1 0.02 0.8566 0.8581
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.399 0.399
Brugia malayi Cathepsin L-like precursor 0.0016 0.0245 0.0246
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0245 0.0245
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0137 0.5694 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.231 0.2315
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.399 0.399
Loa Loa (eye worm) hypothetical protein 0.0231 0.9982 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.231 0.2697
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.02 0.8566 0.8581
Onchocerca volvulus 0.0016 0.0245 0.0245
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0245 0.0245
Brugia malayi hypothetical protein 0.0041 0.1361 0.1363
Leishmania major cathepsin L-like protease 0.0062 0.233 0.2506
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0826 0.0964
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1865 0.2177
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0245 0.0245
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0245 0.0245
Brugia malayi RNA binding protein 0.0062 0.231 0.2315
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0019 0.0349 0.0612
Brugia malayi Cathepsin L-like precursor 0.0016 0.0245 0.0246
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0245 0.0245
Treponema pallidum NADH oxidase 0.0019 0.0349 0.5
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0019 0.0349 0.0612
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0123 0.5072 0.8837
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.233 0.2411
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.8726 0.8742
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.0245 0.0245
Onchocerca volvulus Cathepsin F homolog 0.0016 0.0245 0.0245
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0019 0.0349 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0245 0.0245
Echinococcus multilocularis tar DNA binding protein 0.0062 0.231 0.2121
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0245 0.0245
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.1641 0.1644
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0245 0.0245
Trypanosoma cruzi cruzipain precursor, putative 0.0062 0.233 0.2506
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.233 0.2411
Schistosoma mansoni tar DNA-binding protein 0.0062 0.231 0.2697
Entamoeba histolytica cysteine proteinase, putative 0.0016 0.0245 0.0286
Trichomonas vaginalis CAMK family protein kinase 0.02 0.8566 0.8566
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0245 0.0245
Entamoeba histolytica cysteine protease, putative 0.0016 0.0245 0.0286
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0016 0.0245 0.0246
Onchocerca volvulus 0.0016 0.0245 0.0245
Trichomonas vaginalis CAMK family protein kinase 0.02 0.8566 0.8566
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.233 0.2411
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.1361 0.1589
Brugia malayi Cathepsin L-like precursor 0.0016 0.0245 0.0246
Entamoeba histolytica hypothetical protein 0.0041 0.1361 0.1589
Echinococcus granulosus thioredoxin glutathione reductase 0.0054 0.1945 0.1948
Echinococcus granulosus cathepsin l1 0.0016 0.0245 0.0246
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0349 0.0125
Brugia malayi Cathepsin L-like precursor 0.0016 0.0245 0.0246
Mycobacterium tuberculosis Probable reductase 0.0123 0.5072 0.8837
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.1865 0.1868
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0014 0.0125 0.0125
Echinococcus granulosus tar DNA binding protein 0.0062 0.231 0.2315
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.233 0.2411
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0349 0.0125
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.1865 0.1868
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.0245 0.0286
Brugia malayi Cathepsin L-like precursor 0.0016 0.0245 0.0246
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.233 0.2411
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0349 0.0125
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0349 0.0125
Entamoeba histolytica hypothetical protein 0.0041 0.1361 0.1589
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0123 0.5072 0.8837
Onchocerca volvulus Serine\/threonine kinase homolog 0.02 0.8566 0.8566
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.1361 0.1146
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0019 0.0349 0.5
Trypanosoma brucei polo-like protein kinase 0.02 0.8566 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0349 0.0125
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0245 0.0245
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0349 0.0125
Plasmodium falciparum thioredoxin reductase 0.0019 0.0349 0.0612
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.0245 0.0286
Brugia malayi TAR-binding protein 0.0062 0.231 0.2315
Plasmodium vivax thioredoxin reductase, putative 0.0054 0.1945 1
Trichomonas vaginalis glutathione reductase, putative 0.0019 0.0349 0.0349
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0349 0.0125
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0349 0.0125
Schistosoma mansoni kinase 0.0102 0.4109 0.4797
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0826 0.0597
Loa Loa (eye worm) cysteine protease 0.0016 0.0245 0.0246
Onchocerca volvulus Cathepsin L homolog 0.0016 0.0245 0.0245
Mycobacterium tuberculosis Probable oxidoreductase 0.0137 0.5694 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.231 0.2697
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0349 0.0107
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0014 0.0125 0.0125
Onchocerca volvulus 0.0016 0.0245 0.0245
Plasmodium falciparum thioredoxin reductase 0.0054 0.1945 1
Trypanosoma cruzi polo-like protein kinase, putative 0.02 0.8566 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.2085 0.2211
Brugia malayi Cathepsin L-like precursor 0.0016 0.0245 0.0246
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0245 0.0245
Trypanosoma cruzi trypanothione reductase, putative 0.0054 0.1945 0.2042
Plasmodium vivax SET domain protein, putative 0.0029 0.0826 0.3418
Entamoeba histolytica hypothetical protein 0.0041 0.1361 0.1589
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.233 0.2411
Brugia malayi glutathione reductase 0.0054 0.1945 0.1948
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.233 0.2411
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0826 0.0828
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0349 0.0125
Onchocerca volvulus 0.0047 0.1641 0.1641
Leishmania major trypanothione reductase 0.0054 0.1945 0.2042
Loa Loa (eye worm) thioredoxin reductase 0.0054 0.1945 0.1948
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.233 0.2411
Onchocerca volvulus 0.0016 0.0245 0.0245
Loa Loa (eye worm) ctsf protein 0.0016 0.0245 0.0246
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0826 0.0964
Entamoeba histolytica hypothetical protein 0.0041 0.1361 0.1589
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0349 0.0125
Entamoeba histolytica cysteine proteinase, putative 0.0016 0.0245 0.0286
Loa Loa (eye worm) RNA binding protein 0.0062 0.231 0.2315
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.1865 0.1868
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0123 0.5072 0.8837
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0019 0.0349 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.1865 0.1868
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0826 0.0964
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0349 0.0125
Loa Loa (eye worm) hypothetical protein 0.0029 0.0826 0.0828
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.1725 0.1779
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0826 0.0597
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.9982 1
Trichomonas vaginalis CAMK family protein kinase 0.02 0.8566 0.8566
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0137 0.5694 1
Toxoplasma gondii thioredoxin reductase 0.0054 0.1945 1
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.231 0.2315
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0245 0.0245
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0245 0.0245
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0016 0.0245 0.0245
Loa Loa (eye worm) glutathione reductase 0.0054 0.1945 0.1948
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0137 0.5694 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.1865 0.1663
Trichomonas vaginalis CAMK family protein kinase 0.02 0.8566 0.8566
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0349 0.035
Trypanosoma brucei trypanothione reductase 0.0054 0.1945 0.1942
Trichomonas vaginalis mercuric reductase, putative 0.0019 0.0349 0.0349
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0349 0.035
Mycobacterium tuberculosis Probable dehydrogenase 0.0123 0.5072 0.8837
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1865 0.2177
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0245 0.0245
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0016 0.0245 0.0245
Echinococcus granulosus cathepsin l cysteine peptidase 0.0016 0.0245 0.0246
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0019 0.0349 0.0612
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0016 0.0245 0.0245

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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