Detailed information for compound 624571

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 324.375 | Formula: C17H13FN4S
  • H donors: 1 H acceptors: 2 LogP: 3.64 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1nnc(n1c1ccc(cc1)F)c1c[nH]c2c1cccc2
  • InChi: 1S/C17H13FN4S/c1-23-17-21-20-16(22(17)12-8-6-11(18)7-9-12)14-10-19-15-5-3-2-4-13(14)15/h2-10,19H,1H3
  • InChiKey: WSDBNKHFUYBYBV-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
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0273 0.0429
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0273 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0773 0.109
Plasmodium falciparum glutathione reductase 0.0016 0.0273 0.1702
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.3395 0.8837
Trichomonas vaginalis glycogen phosphorylase, putative 0.0108 0.3507 0.428
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0273 0.1702
Plasmodium falciparum glutathione reductase 0.0046 0.1328 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.3395 0.8837
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0273 0.0627
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.1641 0.2571
Onchocerca volvulus 0.0048 0.1406 0.1733
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.1641 0.2571
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0273 0.0268
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0273 0.0268
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.1406 0.1406
Plasmodium vivax glutathione reductase, putative 0.0046 0.1328 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0057 0.0081
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0273 0.1702
Brugia malayi glutathione reductase 0.0046 0.1328 0.1871
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0125 0.0176
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.1328 0.2081
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0273 0.1668
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.0057 0.0057
Loa Loa (eye worm) glycogen phosphorylase 0.0108 0.3507 0.4941
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.1406 0.2204
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0273 0.1702
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0273 0.1702
Trypanosoma cruzi cytochrome P450, putative 0.001 0.0062 0.0038
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.1641 0.1641
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0273 0.1702
Entamoeba histolytica glycogen phosphorylase, putative 0.0047 0.1354 0.376
Toxoplasma gondii thioredoxin reductase 0.0046 0.1328 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0273 0.1702
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.3395 0.8837
Plasmodium falciparum thioredoxin reductase 0.0046 0.1328 1
Schistosoma mansoni glycogen phosphorylase 0.0108 0.3507 0.3507
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0734 0.1151
Mycobacterium tuberculosis Probable reductase 0.0105 0.3395 0.8837
Brugia malayi mbt repeat family protein 0.0048 0.1406 0.1982
Trichomonas vaginalis set domain proteins, putative 0.024 0.8117 1
Echinococcus granulosus glycogen phosphorylase 0.0108 0.3507 0.5495
Onchocerca volvulus 0.024 0.8117 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0773 0.1212
Loa Loa (eye worm) hypothetical protein 0.001 0.0057 0.0081
Brugia malayi Thioredoxin reductase 0.0046 0.1328 0.1871
Treponema pallidum NADH oxidase 0.0016 0.0273 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.0108 0.3507 0.428
Brugia malayi Cytochrome P450 family protein 0.001 0.0062 0.0087
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0273 0.1702
Brugia malayi carbohydrate phosphorylase 0.0108 0.3507 0.4941
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0273 0.1671
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0125 0.0176
Loa Loa (eye worm) hypothetical protein 0.0055 0.1641 0.2312
Plasmodium falciparum thioredoxin reductase 0.0016 0.0273 0.1702
Entamoeba histolytica glycogen phosphorylase, putative 0.0108 0.3507 1
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.1406 0.1406
Loa Loa (eye worm) CYP4Cod1 0.001 0.0062 0.0087
Echinococcus granulosus endonuclease exonuclease phosphatase 0.019 0.6382 1
Echinococcus granulosus nibrin 0.001 0.0057 0.009
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.7097 1
Schistosoma mansoni DNA ligase IV 0.001 0.0057 0.0057
Echinococcus multilocularis glycogen phosphorylase 0.0108 0.3507 0.5495
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0273 0.0273
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.001 0.0062 0.0037
Brugia malayi hypothetical protein 0.001 0.0057 0.0081
Brugia malayi Pax transcription activation domain interacting protein 0.001 0.0057 0.0081
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0773 0.1212
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0273 0.1702
Schistosoma mansoni glycogen phosphorylase 0.0047 0.1354 0.1354
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.1406 0.2204
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0273 0.1668
Loa Loa (eye worm) MBCTL1 0.0055 0.1641 0.2312
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.3395 0.8837
Echinococcus multilocularis replication factor c subunit 1 0.001 0.0057 0.009
Plasmodium vivax SET domain protein, putative 0.003 0.0773 0.5636
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0273 0.1702
Entamoeba histolytica glycogenphosphorylase, putative 0.0047 0.1354 0.376
Onchocerca volvulus 0.003 0.0773 0.0953
Echinococcus granulosus Glycosyl transferase family 35 0.0108 0.3507 0.5495
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0773 0.0773
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0273 0.1668
Echinococcus multilocularis Glycosyl transferase, family 35 0.0108 0.3507 0.5495
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0273 0.1702
Loa Loa (eye worm) hypothetical protein 0.0048 0.1406 0.1982
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.001 0.0057 0.0081
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1328 0.1871
Schistosoma mansoni topbp1 0.001 0.0057 0.0057
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0773 0.5636
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0273 0.1702
Entamoeba histolytica glycogen phosphorylase, putative 0.0108 0.3507 1
Schistosoma mansoni topbp1 0.001 0.0057 0.0057
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0273 0.1702
Echinococcus granulosus replication factor c subunit 1 0.001 0.0057 0.009
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0273 0.0385
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.1328 0.2081
Loa Loa (eye worm) hypothetical protein 0.001 0.0057 0.0081
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0273 0.1702
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.1328 1
Schistosoma mansoni glycogen phosphorylase 0.0108 0.3507 0.3507
Onchocerca volvulus Glycogen phosphorylase homolog 0.0108 0.3507 0.432
Brugia malayi topoisomerase 0.001 0.0057 0.0081
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0273 0.1702
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.1406 0.2204
Echinococcus multilocularis nibrin 0.001 0.0057 0.009
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.1641 0.2571
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0273 0.1702
Giardia lamblia Glycogen phosphorylase 0.0108 0.3507 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0273 0.1671
Echinococcus multilocularis glycogen phosphorylase 0.0108 0.3507 0.5495
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0773 0.1212
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0273 0.1702
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.1328 0.2985
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0047 0.1354 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0273 0.0429
Brugia malayi mbt repeat family protein 0.0048 0.1406 0.1982
Brugia malayi Pre-SET motif family protein 0.003 0.0773 0.109
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0773 0.0773
Loa Loa (eye worm) hypothetical protein 0.001 0.0057 0.0081
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.3805 1
Onchocerca volvulus 0.001 0.0057 0.007
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.1641 0.2571
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.1641 0.2312
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.3805 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0057 0.0081
Entamoeba histolytica glycogen phosphorylase, putative 0.0047 0.1354 0.376
Trypanosoma cruzi cytochrome P450, putative 0.001 0.0062 0.0038
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.3395 0.8837
Echinococcus granulosus glycogen phosphorylase 0.0108 0.3507 0.5495
Loa Loa (eye worm) cytochrome P450 family protein 0.001 0.0062 0.0087
Leishmania major trypanothione reductase 0.0046 0.1328 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0273 0.1671
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0273 0.1702
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.3805 1
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0047 0.1354 0.3059
Brugia malayi hypothetical protein 0.001 0.0057 0.0081
Loa Loa (eye worm) cytochrome P450 family protein 0.001 0.0062 0.0087
Brugia malayi DKFZp564C0469 protein 0.001 0.0057 0.0081
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.3805 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0273 0.1671
Brugia malayi Pre-SET motif family protein 0.0211 0.7097 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.1406 0.1733
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.1406 0.1406
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.1328 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0773 0.0773
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.1406 0.2204
Trypanosoma brucei cytochrome P450, putative 0.001 0.0062 0.0038
Chlamydia trachomatis glycogen phosphorylase 0.0108 0.3507 1
Trypanosoma brucei trypanothione reductase 0.0046 0.1328 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0273 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0057 0.0081
Loa Loa (eye worm) glutathione reductase 0.0046 0.1328 0.1871
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0273 0.1702
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0273 0.1702
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0773 0.0773
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.019 0.6382 1
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.1406 0.1982
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0273 0.0627
Brugia malayi Cytochrome P450 family protein 0.001 0.0062 0.0087
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0105 0.3395 0.8904

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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