Detailed information for compound 1704187

Basic information

Technical information
  • TDR Targets ID: 1704187
  • Name: 4-methyl-N-[2-[6-[2-[(5-methyl-1,3,4-thiadiaz ol-2-yl)amino]-2-oxoethyl]sulfanyl-[1,2,4]tri azolo[5,4-f]pyridazin-3-yl]ethyl]benzamide
  • MW: 468.555 | Formula: C20H20N8O2S2
  • H donors: 2 H acceptors: 7 LogP: 2.3 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1nnc(s1)C)CSc1ccc2n(n1)c(CCNC(=O)c1ccc(cc1)C)nn2
  • InChi: 1S/C20H20N8O2S2/c1-12-3-5-14(6-4-12)19(30)21-10-9-16-25-24-15-7-8-18(27-28(15)16)31-11-17(29)22-20-26-23-13(2)32-20/h3-8H,9-11H2,1-2H3,(H,21,30)(H,22,26,29)
  • InChiKey: XFHLXEOMFUCVSH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-methyl-N-[2-[6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-[1,2,4]triazolo[5,4-f]pyridazin-3-yl]ethyl]benzamide
  • 4-methyl-N-[2-[6-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thio]-[1,2,4]triazolo[5,4-f]pyridazin-3-yl]ethyl]benzamide
  • N-[2-[6-[[2-keto-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thio]-[1,2,4]triazolo[5,4-f]pyridazin-3-yl]ethyl]-4-methyl-benzamide

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
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0078 0.0346 1
Schistosoma mansoni hypothetical protein 0.0185 0.1054 0.1028
Loa Loa (eye worm) hypothetical protein 0.0054 0.0186 0.0186
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0103 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0103 0.0103
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0078 0.0346 0.0246
Brugia malayi Cytochrome P450 family protein 0.0026 0.0001 0.0001
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0103 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0007 0.0197
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0103 0.0073
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0051 0.0168 0.4744
Loa Loa (eye worm) hypothetical protein 0.0041 0.0103 0.0103
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0265 0.158 1
Brugia malayi Probable ClpP-like protease 0.0078 0.0346 0.0346
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.0346 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0103 0.0103
Onchocerca volvulus 0.0054 0.0186 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.0346 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0078 0.0346 1
Echinococcus multilocularis geminin 0.0185 0.1054 0.0961
Leishmania major hypothetical protein, conserved 0.0041 0.0103 1
Toxoplasma gondii hypothetical protein 0.0027 0.0007 0.0197
Schistosoma mansoni enhancer of zeste ezh 0.1539 1 1
Trichomonas vaginalis esterase, putative 0.0041 0.0103 0.5
Loa Loa (eye worm) SET domain-containing protein 0.1539 1 1
Schistosoma mansoni hypothetical protein 0.0185 0.1054 0.1028
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0103 0.0073
Loa Loa (eye worm) hypothetical protein 0.0041 0.0103 0.0103
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0078 0.0346 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.0168 0.0439
Echinococcus multilocularis histone lysine N methyltransferase E(z) 0.1539 1 1
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0168 0.0066
Mycobacterium leprae Probable lipase LipE 0.0041 0.0103 0.2831
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0007 0.0197
Brugia malayi beta-lactamase family protein 0.0041 0.0103 0.0103
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0045 0.0123 0.0123
Echinococcus granulosus tumor protein p63 0.037 0.2273 0.2193
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0045 0.0123 0.0123
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0103 0.0103
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0103 0.2972
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0041 0.0103 0.0103
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.0186 0.0157
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0103 0.5
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.0168 0.0439
Schistosoma mansoni peptidase Clp (S14 family) 0.0078 0.0346 0.0317
Loa Loa (eye worm) hypothetical protein 0.0078 0.0346 0.0346
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0078 0.0346 0.0246
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0168 0.0066
Loa Loa (eye worm) hypothetical protein 0.003 0.003 0.003
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0103 1
Toxoplasma gondii ABC1 family protein 0.0041 0.0103 0.2972
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0103 0.5
Mycobacterium leprae conserved hypothetical protein 0.0041 0.0103 0.2831
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0103 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0078 0.0346 1
Echinococcus multilocularis tumor protein p63 0.037 0.2273 0.2193
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.0346 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.0346 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0078 0.0346 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0103 0.0103
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0103 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0103 0.0103
Loa Loa (eye worm) hypothetical protein 0.0045 0.0123 0.0123
Echinococcus granulosus histone lysine N methyltransferase Ez 0.1539 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0045 0.0123 0.0123
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0103 0.5
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0078 0.0346 1
Brugia malayi beta-lactamase 0.0041 0.0103 0.0103
Brugia malayi beta-lactamase family protein 0.0041 0.0103 0.0103
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.0346 1
Echinococcus granulosus geminin 0.0185 0.1054 0.0961
Brugia malayi latrophilin 2 splice variant baaae 0.003 0.003 0.003
Loa Loa (eye worm) beta-lactamase 0.0041 0.0103 0.0103

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

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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