Detailed information for compound 1803227

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 195.242 | Formula: C8H9N3OS
  • H donors: 3 H acceptors: 1 LogP: 0.84 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=S)N/N=C\c1ccccc1O
  • InChi: 1S/C8H9N3OS/c9-8(13)11-10-5-6-3-1-2-4-7(6)12/h1-5,12H,(H3,9,11,13)/b10-5-
  • InChiKey: OHNSRYBTSVDDKA-YHYXMXQVSA-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
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0393 0.0393
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0306 0.0306
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0201 0.0098
Leishmania major trypanothione reductase 0.0055 0.0366 0.1864
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.0366 1
Mycobacterium leprae conserved hypothetical protein 0.0039 0.02 0.0022
Echinococcus granulosus inositol monophosphatase 1 0.0043 0.0243 0.0243
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.02 0.02
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0201 0.0372
Echinococcus multilocularis neutral amino acid transporter A 0.1001 1 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0393 0.0393
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.0366 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0126 0.1091 0.1091
Schistosoma mansoni alpha glucosidase 0.0039 0.0201 0.0201
Brugia malayi mbt repeat family protein 0.0058 0.0393 0.0393
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0249 0.2339 0.2339
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.02 0.0002
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0419 0.0419
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0306 0.0306
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.0366 0.0366
Onchocerca volvulus 0.0058 0.0393 0.0197
Loa Loa (eye worm) hypothetical protein 0.0039 0.02 0.02
Schistosoma mansoni inositol monophosphatase 0.0043 0.0243 0.0243
Schistosoma mansoni alpha-glucosidase 0.0151 0.1339 0.1339
Brugia malayi follicle stimulating hormone receptor 0.0249 0.2339 0.2339
Onchocerca volvulus Excitatory amino acid transporter homolog 0.1001 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0126 0.1091 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0175 0.1588 0.1588
Loa Loa (eye worm) MBCTL1 0.0066 0.0474 0.0474
Chlamydia trachomatis glutamate symporter 0.1001 1 1
Schistosoma mansoni alpha-glucosidase 0.0151 0.1339 0.1339
Schistosoma mansoni inositol monophosphatase 0.0043 0.0243 0.0243
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0139 0.1225 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.0243 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0043 0.0243 0.0489
Echinococcus granulosus Excitatory amino acid transporter 0.1001 1 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0125 0.1083 0.0903
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0393 0.0393
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0393 0.0393
Treponema pallidum glutamate transporter 0.0444 0.4324 0.5
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0393 0.0393
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0225 0.0225
Echinococcus multilocularis inositol monophosphatase 1 0.0043 0.0243 0.0243
Brugia malayi mbt repeat family protein 0.0058 0.0393 0.0393
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0201 0.0372
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.1001 1 1
Trypanosoma brucei trypanothione reductase 0.0055 0.0366 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0474 0.0474
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.2118 0.2118
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0306 0.0306
Echinococcus multilocularis excitatory amino acid transporter 2 0.1001 1 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0243 0.2623
Mycobacterium ulcerans aldehyde dehydrogenase 0.0126 0.1091 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0039 0.0201 0.0201
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0444 0.4324 0.4324
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0126 0.1091 0.0911
Brugia malayi Glycosyl hydrolases family 31 protein 0.0039 0.0201 0.0201
Trypanosoma brucei glucosidase, putative 0.0039 0.0201 0.0098
Schistosoma mansoni aldehyde dehydrogenase 0.0126 0.1091 0.1091
Loa Loa (eye worm) hypothetical protein 0.0039 0.02 0.02
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0126 0.1091 0.1091
Brugia malayi MH2 domain containing protein 0.0128 0.1111 0.1111
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.0201 0.0372
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.0366 0.0366
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0474 0.0474
Echinococcus granulosus neutral amino acid transporter A 0.1001 1 1
Brugia malayi Inositol-1 0.0043 0.0243 0.0243
Mycobacterium tuberculosis Conserved protein 0.0039 0.02 0.0002
Loa Loa (eye worm) hypothetical protein 0.016 0.1439 0.1439
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0243 0.0489
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0201 0.0372
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0306 0.0306
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.02 0.0002
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0306 0.0306
Loa Loa (eye worm) hypothetical protein 0.0039 0.02 0.02
Brugia malayi Glycosyl hydrolases family 31 protein 0.0175 0.1588 0.1588
Toxoplasma gondii aldehyde dehydrogenase 0.0126 0.1091 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0474 0.0474
Echinococcus multilocularis lysosomal alpha glucosidase 0.0175 0.1588 0.1588
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0043 0.0243 0.0489
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0201 0.0372
Mycobacterium leprae Probable lipase LipE 0.0039 0.02 0.0022
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.1001 1 1
Plasmodium falciparum thioredoxin reductase 0.0055 0.0366 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.02 0.02
Echinococcus granulosus sodium:dicarboxylate symporter 0.1001 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.02 0.02
Loa Loa (eye worm) hypothetical protein 0.0058 0.0393 0.0393
Loa Loa (eye worm) inositol-1 0.0043 0.0243 0.0243
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0125 0.1083 0.8614
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.1111 0.1111
Echinococcus multilocularis neutral amino acid transporter A 0.1001 1 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.02 0.02
Loa Loa (eye worm) excitatory amino acid transporter 0.1001 1 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0243 0.2623
Echinococcus granulosus neutral amino acid transporter A 0.1001 1 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0393 0.0197
Mycobacterium tuberculosis Conserved protein 0.0039 0.02 0.0002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0306 0.0306
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0043 0.0243 1
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.02 0.0002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0306 0.0306
Loa Loa (eye worm) hypothetical protein 0.0066 0.0474 0.0474
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.02 0.02
Loa Loa (eye worm) hypothetical protein 0.0039 0.02 0.02
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.1001 1 1
Plasmodium vivax glutathione reductase, putative 0.0055 0.0366 1
Schistosoma mansoni aldehyde dehydrogenase 0.0126 0.1091 0.1091
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0139 0.1225 0.1049
Brugia malayi beta-lactamase family protein 0.0039 0.02 0.02
Plasmodium falciparum glutathione reductase 0.0055 0.0366 0.5
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0039 0.0201 0.0018
Echinococcus granulosus excitatory amino acid transporter 2 0.1001 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0201 0.0098
Echinococcus multilocularis excitatory amino acid transporter 2 0.1001 1 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0444 0.4324 0.4324
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0393 0.0393
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0043 0.0243 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.02 0.0002
Brugia malayi Muscleblind-like protein 0.016 0.1439 0.1439
Echinococcus granulosus excitatory amino acid transporter 3 0.1001 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0247 0.2321 0.2167
Echinococcus multilocularis muscleblind protein 1 0.016 0.1439 0.1439
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.02 0.0002
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0126 0.1091 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.02 0.02
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0474 0.0474
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0139 0.1225 0.1049
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0306 0.0306
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0125 0.1083 0.0903
Mycobacterium tuberculosis Probable reductase 0.0125 0.1083 0.0903
Echinococcus multilocularis neutral amino acid transporter A 0.1001 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0306 0.0306
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0444 0.4324 0.4324
Loa Loa (eye worm) hypothetical protein 0.006 0.0419 0.0419
Treponema pallidum glutamate/aspartate transporter 0.0444 0.4324 0.5
Echinococcus granulosus muscleblind protein 0.016 0.1439 0.1439
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0474 0.0474
Brugia malayi Thioredoxin reductase 0.0055 0.0366 0.0366
Brugia malayi beta-lactamase 0.0039 0.02 0.02
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0201 0.0372
Leishmania major alpha glucosidase II subunit, putative 0.0039 0.0201 0.0018
Loa Loa (eye worm) glutathione reductase 0.0055 0.0366 0.0366
Loa Loa (eye worm) hypothetical protein 0.0039 0.02 0.02
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.02 0.0002
Mycobacterium tuberculosis Probable dehydrogenase 0.0125 0.1083 0.0903
Echinococcus granulosus lysosomal alpha glucosidase 0.0175 0.1588 0.1588
Echinococcus multilocularis muscleblind protein 0.016 0.1439 0.1439
Brugia malayi beta-lactamase family protein 0.0039 0.02 0.02
Trichomonas vaginalis inositol monophosphatase, putative 0.0043 0.0243 1
Onchocerca volvulus 0.0101 0.0836 0.065
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0125 0.1083 0.0903
Echinococcus multilocularis Excitatory amino acid transporter 0.1001 1 1
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0393 0.0393
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0419 0.0419
Trichomonas vaginalis sucrase-isomaltase, putative 0.0039 0.0201 0.0372
Echinococcus multilocularis sodium:dicarboxylate symporter 0.1001 1 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0055 0.0366 0.0172
Mycobacterium tuberculosis Probable oxidoreductase 0.0139 0.1225 0.1049
Schistosoma mansoni hypothetical protein 0.0041 0.0225 0.0225
Echinococcus granulosus Excitatory amino acid transporter 0.1001 1 1
Echinococcus multilocularis Excitatory amino acid transporter 0.1001 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0126 0.1091 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.02 0.02
Toxoplasma gondii thioredoxin reductase 0.0055 0.0366 0.1864
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0393 0.0393
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.02 0.0002
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0125 0.1083 0.0903
Echinococcus granulosus neutral amino acid transporter 0.1001 1 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0243 0.2623
Trichomonas vaginalis maltase-glucoamylase, putative 0.0039 0.0201 0.0372
Brugia malayi glutathione reductase 0.0055 0.0366 0.0366
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0175 0.1588 0.1588
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.2118 0.2118
Loa Loa (eye worm) hypothetical protein 0.016 0.1439 0.1439
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.0366 0.0366
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0039 0.0201 0.0201
Echinococcus granulosus excitatory amino acid transporter 2 0.1001 1 1
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.1001 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.1111 0.1111
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0474 0.0474
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0444 0.4324 0.4324
Echinococcus multilocularis neutral alpha glucosidase AB 0.0039 0.0201 0.0201
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0419 0.0419
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.0201 0.0372
Loa Loa (eye worm) beta-lactamase 0.0039 0.02 0.02
Echinococcus multilocularis excitatory amino acid transporter 3 0.1001 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0225 0.0225
Mycobacterium tuberculosis Conserved protein 0.0039 0.02 0.0002
Schistosoma mansoni hypothetical protein 0.035 0.3373 0.3373

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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