Detailed information for compound 1046885

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 270.742 | Formula: C9H11ClN6S
  • H donors: 3 H acceptors: 2 LogP: 1.17 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)Nc1nnc(s1)c1ccccc1N.Cl
  • InChi: 1S/C9H10N6S.ClH/c10-6-4-2-1-3-5(6)7-14-15-9(16-7)13-8(11)12;/h1-4H,10H2,(H4,11,12,13,15);1H
  • InChiKey: SBAJSRMHEVNHDE-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
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.009 0.0103 0.0103
Onchocerca volvulus 0.009 0.0103 1
Echinococcus granulosus tumor protein p63 0.036 0.0613 0.0506
Leishmania major ecotin, putative 0.009 0.0103 0.5
Mycobacterium tuberculosis Probable lipase/esterase LipN 0.009 0.0103 0.5
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.5323 1 1
Mycobacterium tuberculosis Possible lipase LipU 0.009 0.0103 0.5
Trichomonas vaginalis glutaminase, putative 0.0283 0.0469 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0113 0.0113
Trypanosoma brucei Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.009 0.0103 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.0031 0.0031
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.5323 1 1
Schistosoma mansoni hypothetical protein 0.005 0.0027 0.0027
Echinococcus multilocularis tumor protein p63 0.036 0.0613 0.0506
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.0032 0.0032
Trypanosoma cruzi Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.009 0.0103 0.5
Mycobacterium tuberculosis Probable esterase LipM 0.009 0.0103 0.5
Echinococcus multilocularis hormone sensitive lipase 0.5323 1 1
Mycobacterium tuberculosis Probable lipase LipH 0.009 0.0103 0.5
Mycobacterium tuberculosis Probable acetyl-hydrolase/esterase LipR 0.009 0.0103 0.5
Mycobacterium tuberculosis Probable carboxylesterase LipQ 0.009 0.0103 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0032 0.0032
Trypanosoma cruzi serine peptidase, Clan SC, Family S9D 0.009 0.0103 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0245 0.0396 0.0287
Mycobacterium ulcerans glutaminase 0.0283 0.0469 1
Brugia malayi glutaminase DH11.1 0.0283 0.0469 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0027 0.0584
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.0113 0.2403
Mycobacterium tuberculosis Probable esterase LipC 0.009 0.0103 0.5
Mycobacterium tuberculosis Possible esterase LipW 0.009 0.0103 0.5
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.009 0.0103 0.5
Leishmania major hypothetical protein, conserved 0.009 0.0103 0.5
Trypanosoma cruzi Alpha/beta hydrolase domain-containing protein 0.009 0.0103 0.5
Treponema pallidum N-acetylphosphinothricin-tripetide-deacetylase 0.009 0.0103 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0031 0.0663
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0113 0.0113
Mycobacterium tuberculosis Probable esterase/lipase LipF 0.009 0.0103 0.5
Schistosoma mansoni survival motor neuron protein 0.005 0.0027 0.0027
Echinococcus granulosus survival motor neuron protein 1 0.0245 0.0396 0.0287
Loa Loa (eye worm) hypothetical protein 0.0245 0.0396 0.0396
Loa Loa (eye worm) ammd protein 0.009 0.0103 0.0103
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0031 0.0031
Mycobacterium leprae Possible lipase LipU 0.009 0.0103 0.5
Brugia malayi aryl-acylamidase 0.009 0.0103 0.2206
Brugia malayi hypothetical protein 0.0245 0.0396 0.8457
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.5323 1 1
Mycobacterium tuberculosis Putative acetyl hydrolase MbtJ 0.009 0.0103 0.5
Loa Loa (eye worm) aryl-acylamidase 0.009 0.0103 0.0103
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.009 0.0103 0.5
Mycobacterium tuberculosis Probable esterase LipO 0.009 0.0103 0.5
Trypanosoma cruzi Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.009 0.0103 0.5
Loa Loa (eye worm) glutaminase 2 0.0283 0.0469 0.0469
Schistosoma mansoni glutaminase 0.0283 0.0469 0.0469
Mycobacterium tuberculosis Probable non lipolytic carboxylesterase NlhH 0.009 0.0103 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.0113 0.0113
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0031 0.0663
Onchocerca volvulus 0.0053 0.0032 0.0661
Loa Loa (eye worm) hypothetical protein 0.5323 1 1
Loa Loa (eye worm) glutaminase 0.0283 0.0469 0.0469
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.0113 0.0113

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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