Detailed information for compound 183575

Basic information

Technical information
  • TDR Targets ID: 183575
  • Name: 1,1-dimethyl-3-[(E)-1-(6-methylpyridazin-3-yl )ethylideneamino]thiourea
  • MW: 237.325 | Formula: C10H15N5S
  • H donors: 0 H acceptors: 2 LogP: 1.1 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: S/C(=N\N=C(\c1ccc(nn1)C)/C)/N(C)C
  • InChi: 1S/C10H15N5S/c1-7-5-6-9(13-11-7)8(2)12-14-10(16)15(3)4/h5-6H,1-4H3,(H,14,16)/b12-8+
  • InChiKey: PUYUGOHGYLUNAC-XYOKQWHBSA-N  

Network

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Synonyms

  • 1,1-dimethyl-3-[(E)-1-(6-methyl-3-pyridazinyl)ethylideneamino]thiourea
  • 1,1-dimethyl-3-[1-(6-methylpyridazin-3-yl)ethylideneamino]thiourea
  • 1,1-dimethyl-3-[1-(6-methyl-3-pyridazinyl)ethylideneamino]thiourea
  • AIDS192038
  • Hydrazinecarbothioamide, N,N-dimethyl-2-[1-(6-methyl-3-pyridazinyl)ethylidene]-, (2E)-
  • AIDS-192038

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 sn1 specific diacylglycerol lipase beta 0.1998 0.3339 1
Mycobacterium tuberculosis Possible haloalkane dehalogenase 0.0095 0.0029 0.0029
Trichomonas vaginalis lipase containing protein, putative 0.1998 0.3339 1
Schistosoma mansoni family S33 non-peptidase homologue (S33 family) 0.0134 0.0097 1
Trypanosoma cruzi hypothetical protein, conserved 0.1998 0.3339 1
Leishmania major hypothetical protein, conserved 0.1998 0.3339 1
Toxoplasma gondii alpha/beta hydrolase, putative 0.0078 0 0.5
Toxoplasma gondii homoserine O-acetyltransferase, putative 0.0078 0 0.5
Trypanosoma brucei lipase domain protein, putative 0.1998 0.3339 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0097 0.029
Echinococcus multilocularis abhydrolase domain containing protein 11 0.0134 0.0097 0.029
Entamoeba histolytica alpha/beta hydrolase domain protein, putative 0.0078 0 0.5
Plasmodium falciparum alpha/beta hydrolase, putative 0.0134 0.0097 1
Mycobacterium leprae Probable exported protease 0.0078 0 0.5
Plasmodium vivax alpha/beta hydrolase, putative 0.0134 0.0097 1
Mycobacterium leprae Probable homoserine o-acetyltransferase MetA 0.0078 0 0.5
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.0078 0 0.5
Mycobacterium leprae POSSIBLE SECRETED PROTEASE 0.0078 0 0.5
Mycobacterium tuberculosis Probable haloalkane dehalogenase 0.0095 0.0029 0.0029
Trypanosoma cruzi hypothetical protein, conserved 0.1998 0.3339 1
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.1998 0.3339 1
Echinococcus granulosus abhydrolase domain containing protein 11 0.0134 0.0097 0.029
Entamoeba histolytica alpha/beta hydrolase fold protein, putative 0.0078 0 0.5
Onchocerca volvulus 0.1998 0.3339 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0095 0.0029 0.0029
Brugia malayi Lipase family protein 0.1998 0.3339 1
Giardia lamblia ENC6 protein 0.0078 0 0.5
Mycobacterium tuberculosis 4,9-DHSA hydrolase 0.5749 0.9864 1
Mycobacterium tuberculosis Conserved protein 0.0095 0.0029 0.0029
Trypanosoma brucei lipase domain protein, putative 0.1998 0.3339 1
Mycobacterium leprae Probable exported protease 0.0078 0 0.5
Trichomonas vaginalis lipase containing protein, putative 0.1998 0.3339 1
Loa Loa (eye worm) lipase 0.1998 0.3339 1
Mycobacterium leprae POSSIBLE EPOXIDE HYDROLASE EPHE (EPOXIDE HYDRATASE) (ARENE-OXIDE HYDRATASE) 0.0078 0 0.5
Entamoeba histolytica hypothetical protein 0.0078 0 0.5

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.088 ug ml-1 Inhibition of Herpes simplex virus-1 (HSV-1)-induced cytopathic effect in HUT78 cells. ChEMBL. 1354751
ED50 (functional) = 0.088 ug ml-1 Inhibition of Herpes simplex virus-1 (HSV-1)-induced cytopathic effect in HUT78 cells. ChEMBL. 1354751
ED50 (functional) = 0.12 ug ml-1 Inhibition of HIV-1-induced cytopathic effect in MT-4 cells. ChEMBL. 1354751
ED50 (functional) = 0.12 ug ml-1 Inhibition of HIV-1-induced cytopathic effect in MT-4 cells. ChEMBL. 1354751

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

1 literature reference was collected for this gene.

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