Detailed information for compound 1548771

Basic information

Technical information
  • TDR Targets ID: 1548771
  • Name: 5,6,8-trimethyl-3-(2-morpholin-4-ylethylsulfa nyl)-[1,2,4]triazino[5,6-b]indole
  • MW: 357.473 | Formula: C18H23N5OS
  • H donors: 0 H acceptors: 3 LogP: 2.27 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)c2c(c1)c1nnc(nc1n2C)SCCN1CCOCC1
  • InChi: 1S/C18H23N5OS/c1-12-10-13(2)16-14(11-12)15-17(22(16)3)19-18(21-20-15)25-9-6-23-4-7-24-8-5-23/h10-11H,4-9H2,1-3H3
  • InChiKey: NXRKOIDKRDSGFX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5,6,8-trimethyl-3-(2-morpholinoethylsulfanyl)-[1,2,4]triazino[5,6-b]indole
  • 5,6,8-trimethyl-3-(2-morpholinoethylthio)-[1,2,4]triazino[5,6-b]indole
  • BAS 11174141

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
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0772 0.0702
Trichomonas vaginalis rotamase, putative 0.0037 0.0718 0.3413
Loa Loa (eye worm) hypothetical protein 0.0038 0.0772 0.0702
Echinococcus granulosus tar DNA binding protein 0.0067 0.1683 0.1621
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0772 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0083 0.2214 1
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0772 0.1768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1104 0.4989
Loa Loa (eye worm) beta-lactamase 0.0038 0.0772 0.0702
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0772 1
Brugia malayi TAR-binding protein 0.0067 0.1683 0.1621
Schistosoma mansoni hypothetical protein 0.0017 0.0075 0.0337
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0809 0.074
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0083 0.2214 0.2155
Brugia malayi beta-lactamase family protein 0.0038 0.0772 0.0702
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0083 0.2214 1
Echinococcus multilocularis tar DNA binding protein 0.0067 0.1683 0.1621
Brugia malayi beta-lactamase 0.0038 0.0772 0.0702
Schistosoma mansoni hypothetical protein 0.0017 0.0075 0.0337
Schistosoma mansoni hypothetical protein 0.0017 0.0075 0.0337
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0054 0.1293 0.0786
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0244 0.7402 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0772 0.0702
Loa Loa (eye worm) TAR-binding protein 0.0067 0.1683 0.1621
Entamoeba histolytica hypothetical protein 0.0039 0.0809 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1104 0.1038
Toxoplasma gondii peptidylprolyl isomerase 0.0036 0.069 0.1304
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.1104 0.1038
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0083 0.2214 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0718 0.3413
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0772 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1104 0.4989
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0054 0.1293 0.4744
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0772 0.3485
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0772 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0083 0.2214 0.2155
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0809 0.3654
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1227 0.1161
Loa Loa (eye worm) RNA binding protein 0.0067 0.1683 0.1621
Toxoplasma gondii ABC1 family protein 0.0038 0.0772 0.1768
Brugia malayi RNA binding protein 0.0067 0.1683 0.1621
Echinococcus multilocularis zinc finger transcription factor gli2 0.0325 1 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.2214 0.2155
Echinococcus granulosus peptidase Clp S14 family 0.0054 0.1293 0.1228
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0054 0.1293 0.0786
Loa Loa (eye worm) hypothetical protein 0.0038 0.0772 0.0702
Echinococcus granulosus expressed protein 0.0037 0.0718 0.0648
Brugia malayi hypothetical protein 0.0039 0.0809 0.074
Loa Loa (eye worm) hypothetical protein 0.0038 0.0772 0.0702
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1227 0.1161
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.1683 0.1621
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0083 0.2214 1
Brugia malayi beta-lactamase family protein 0.0038 0.0772 0.0702
Loa Loa (eye worm) hypothetical protein 0.0038 0.0772 0.0702
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0772 1
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0694 0.0624
Entamoeba histolytica hypothetical protein 0.0039 0.0809 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.1104 0.1038
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0772 0.0702
Loa Loa (eye worm) hypothetical protein 0.0038 0.0772 0.0702
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0083 0.2214 1
Entamoeba histolytica hypothetical protein 0.0039 0.0809 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0054 0.1293 0.1228
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0772 1
Mycobacterium leprae Probable lipase LipE 0.0038 0.0772 0.1768
Echinococcus multilocularis expressed protein 0.0037 0.0718 0.0648
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1683 0.7605
Loa Loa (eye worm) zinc finger protein 0.0325 1 1
Onchocerca volvulus 0.0038 0.0772 0.5
Brugia malayi Probable ClpP-like protease 0.0083 0.2214 0.2155
Schistosoma mansoni rotamase 0.0037 0.0718 0.3244
Entamoeba histolytica hypothetical protein 0.0039 0.0809 1
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0037 0.0718 0.0648
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0809 0.074
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0083 0.2214 0.5
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0083 0.2214 1
Onchocerca volvulus 0.0038 0.0772 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.1227 0.1161
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0772 0.0702
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0772 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0694 0.0624
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0772 0.1768
Schistosoma mansoni hypothetical protein 0.0017 0.0075 0.0337
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1683 0.7605
Leishmania major hypothetical protein, conserved 0.0038 0.0772 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1683 0.7605
Schistosoma mansoni hypothetical protein 0.0036 0.0694 0.3133
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1683 0.7605
Schistosoma mansoni hypothetical protein 0.0039 0.0809 0.3654
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0772 0.0702
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0083 0.2214 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0772 0.3485
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1104 0.1038
Trichomonas vaginalis esterase, putative 0.0038 0.0772 1
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0037 0.0718 0.0648
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1104 0.1038
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0083 0.2214 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1104 0.1038
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1227 0.1161
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0772 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0083 0.2214 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1104 0.4989
Onchocerca volvulus 0.0038 0.0772 0.5
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1683 0.7605
Echinococcus granulosus zinc finger transcription factor gli2 0.0325 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.1683 0.1621
Schistosoma mansoni peptidase Clp (S14 family) 0.0083 0.2214 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0083 0.2214 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.
 
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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