Detailed information for compound 617964

Basic information

Technical information
  • TDR Targets ID: 617964
  • Name: N-(2,5-dimethoxyphenyl)-2-[[3-(4-methylphenyl )-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfan yl]acetamide
  • MW: 435.499 | Formula: C22H21N5O3S
  • H donors: 1 H acceptors: 4 LogP: 3.46 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)CSc1ccc2n(n1)c(nn2)c1ccc(cc1)C)OC
  • InChi: 1S/C22H21N5O3S/c1-14-4-6-15(7-5-14)22-25-24-19-10-11-21(26-27(19)22)31-13-20(28)23-17-12-16(29-2)8-9-18(17)30-3/h4-12H,13H2,1-3H3,(H,23,28)
  • InChiKey: QNJNOCMGIAJQMR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2,5-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]thio]acetamide
  • N-(2,5-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]ethanamide

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
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0217 0.0215
Loa Loa (eye worm) hypothetical protein 0.0035 0.1298 0.1453
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0362 0.2624
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0217 0.0585
Loa Loa (eye worm) hypothetical protein 0.0035 0.1298 0.1453
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0635 0.4771
Schistosoma mansoni nuclear hormone receptor 0.001 0.0217 0.0585
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0234 0.0234
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.1298 0.3502
Plasmodium vivax hypothetical protein, conserved 0.0035 0.1298 1
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0217 0.0215
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.1048 0.2827
Mycobacterium tuberculosis Conserved protein 0.0035 0.1298 0.074
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.1298 0.074
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.3706 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.1048 0.2827
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0217 0.0215
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0635 0.4771
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.0912 0.0559
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0635 0.4771
Brugia malayi beta-lactamase family protein 0.0035 0.1298 0.1453
Entamoeba histolytica recQ family helicase, putative 0.0014 0.0374 0.589
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0444 0.0651
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.3706 1
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0217 0.0585
Loa Loa (eye worm) hypothetical protein 0.001 0.0217 0.0215
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.1298 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.9601 1
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0217 0.0215
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0011 0.0234 0.0049
Echinococcus multilocularis GPCR, family 2 0.0016 0.0444 0.0651
Schistosoma mansoni blooms syndrome DNA helicase 0.0021 0.0669 0.1804
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0217 0.0585
Onchocerca volvulus 0.0035 0.1298 0.1105
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1298 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.3706 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1298 0.096
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0234 0.18
Loa Loa (eye worm) hypothetical protein 0.0049 0.1928 0.2175
Loa Loa (eye worm) hypothetical protein 0.001 0.0217 0.0215
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.1048 0.2382
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0635 0.4771
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0217 0.0215
Loa Loa (eye worm) hypothetical protein 0.0016 0.0444 0.0475
Brugia malayi steroid hormone receptor 0.001 0.0217 0.0215
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0444 0.0475
Brugia malayi beta-lactamase family protein 0.0035 0.1298 0.1453
Loa Loa (eye worm) beta-lactamase 0.0035 0.1298 0.1453
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0444 0.0651
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0217 0.0215
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0635 0.1198
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1928 0.2175
Loa Loa (eye worm) hypothetical protein 0.0011 0.0234 0.0234
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0635 0.4771
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0011 0.0234 0.0049
Trichomonas vaginalis DNA helicase recq1, putative 0.0026 0.0912 0.0559
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.1298 0.074
Loa Loa (eye worm) hypothetical protein 0.002 0.0635 0.0693
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0217 0.0585
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0635 0.4771
Loa Loa (eye worm) hypothetical protein 0.001 0.0217 0.0215
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0217 0.0215
Trypanosoma brucei unspecified product 0.002 0.0635 0.4771
Brugia malayi Pre-SET motif family protein 0.0029 0.1048 0.1167
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0444 0.0651
Schistosoma mansoni hypothetical protein 0.0016 0.0444 0.1198
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0635 0.4771
Loa Loa (eye worm) RecQ helicase 0.0026 0.0912 0.1011
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0362 0.2624
Loa Loa (eye worm) hypothetical protein 0.001 0.0217 0.0215
Brugia malayi beta-lactamase 0.0035 0.1298 0.1453
Onchocerca volvulus 0.0035 0.1298 0.1105
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0217 0.0585
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.1048 0.2827
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0444 0.0651
Schistosoma mansoni DNA polymerase eta 0.002 0.0635 0.1712
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.1298 0.074
Treponema pallidum ATP-dependent DNA helicase 0.0006 0 0.5
Mycobacterium ulcerans beta-lactamase 0.0035 0.1298 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0635 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0023 0.0771 1
Brugia malayi Pre-SET motif family protein 0.0205 0.8757 1
Trichomonas vaginalis esterase, putative 0.0035 0.1298 0.096
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.3706 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0217 0.0215
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0006 0.0029 0.0227
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1298 0.096
Loa Loa (eye worm) hypothetical protein 0.0034 0.1241 0.1388
Onchocerca volvulus 0.0029 0.1048 0.085
Echinococcus multilocularis bloom syndrome protein 0.0026 0.0912 0.1991
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0635 0.4771
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.1298 0.074
Loa Loa (eye worm) hypothetical protein 0.0035 0.1298 0.1453
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0635 0.0271
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0217 0.0215
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0217 0.0215
Schistosoma mansoni hypothetical protein 0.0016 0.0444 0.1198
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.1298 0.1453
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0635 0.4771
Trypanosoma brucei unspecified product 0.0014 0.0362 0.2624
Trypanosoma brucei unspecified product 0.0014 0.0362 0.2624
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.3706 0.4213
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0635 0.4771
Loa Loa (eye worm) hypothetical protein 0.0035 0.1298 0.1453
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0217 0.0585
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.1 0.2246
Mycobacterium ulcerans lipase LipD 0.0035 0.1298 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.1048 0.2382
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0635 0.4771
Leishmania major hypothetical protein, conserved 0.0035 0.1298 1
Echinococcus granulosus dna polymerase kappa 0.002 0.0635 0.1198
Echinococcus granulosus GPCR family 2 0.0016 0.0444 0.0651
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0635 0.4771
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0635 0.0693
Mycobacterium leprae conserved hypothetical protein 0.0035 0.1298 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0217 0.0585
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0217 0.0215
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0635 0.4771
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.3706 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.1298 0.1453
Giardia lamblia Sgs1 DNA helicase, putative 0.0011 0.0234 0.3374
Schistosoma mansoni thyroid hormone receptor 0.001 0.0217 0.0585
Echinococcus granulosus dna polymerase eta 0.002 0.0635 0.1198
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.1298 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.1298 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1928 0.2175
Loa Loa (eye worm) hypothetical protein 0.0132 0.5568 0.6347
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0217 0.0215
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.1048 0.2382
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1298 1
Giardia lamblia DINP protein human, muc B family 0.002 0.0635 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0635 0.4771
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.8757 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0635 0.1712
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0217 0.0215
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1241 0.1388
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0011 0.0234 0.0234
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0374 0.2715
Brugia malayi nuclear receptor NHR-88 0.001 0.0217 0.0215
Schistosoma mansoni hypothetical protein 0.0034 0.1241 0.3348
Onchocerca volvulus 0.0035 0.1298 0.1105
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0217 0.0215
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0234 0.0234
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0217 0.0215
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1928 0.2175
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0217 0.0215
Schistosoma mansoni DNA helicase recq1 0.0011 0.0234 0.063
Brugia malayi nuclear hormone receptor 0.001 0.0217 0.0215
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.3706 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0374 0.2715
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.1298 0.074
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0217 0.0215
Loa Loa (eye worm) hypothetical protein 0.0035 0.1298 0.1453
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0217 0.0215
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0444 0.0475
Schistosoma mansoni coup transcription factor 0.001 0.0217 0.0585
Echinococcus granulosus bloom syndrome protein 0.0026 0.0912 0.1991
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0006 0.0029 0.0227
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.1048 0.2827
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.3706 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0217 0.0585
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.1298 0.3502
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1298 0.096
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0234 0.18
Schistosoma mansoni DNA polymerase IV / kappa 0.0006 0.0029 0.008
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.3706 0.4213
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.1298 0.074
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.1048 0.8074
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0217 0.0215
Schistosoma mansoni DNA helicase recq5 0.0011 0.0234 0.063
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0635 0.4771
Loa Loa (eye worm) hypothetical protein 0.001 0.0217 0.0215
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0217 0.0215
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0011 0.0234 0.2752
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0374 0.2715
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1298 0.096
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0635 0.1198
Echinococcus multilocularis dna polymerase eta 0.002 0.0635 0.1198
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0635 0.0271
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0011 0.0234 0.0049
Brugia malayi ecdysteroid receptor 0.001 0.0217 0.0215
Mycobacterium tuberculosis Conserved protein 0.0035 0.1298 0.074
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0217 0.0215
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0635 0.0693
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0362 0.2624
Mycobacterium leprae Probable lipase LipE 0.0035 0.1298 0.5
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0635 0.4771
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0635 0.4771
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.1298 0.3099
Loa Loa (eye worm) hypothetical protein 0.001 0.0217 0.0215
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0635 0.4771
Schistosoma mansoni thyroid hormone receptor 0.001 0.0217 0.0585
Leishmania major DNA polymerase eta, putative 0.002 0.0635 0.4771
Trichomonas vaginalis set domain proteins, putative 0.0233 1 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.1298 0.3099
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1298 0.096
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0635 0.1712
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0635 0.0693
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0217 0.0215
Loa Loa (eye worm) hypothetical protein 0.0035 0.1298 0.1453
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0635 0.4771
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0635 0.4771
Schistosoma mansoni hypothetical protein 0.0016 0.0444 0.1198
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0635 0.4771
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0217 0.0215
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.1298 1
Brugia malayi Bloom's syndrome protein homolog 0.0026 0.0912 0.1011
Loa Loa (eye worm) hypothetical protein 0.0029 0.1048 0.1167
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0006 0.0029 0.0227
Toxoplasma gondii ABC1 family protein 0.0035 0.1298 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0217 0.0215
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0217 0.0215
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0635 0.4771
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0018 0.0538 0.4007
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0018 0.0528 0.4071
Schistosoma mansoni hypothetical protein 0.0016 0.0444 0.1198
Plasmodium vivax SET domain protein, putative 0.0029 0.1048 0.8029
Mycobacterium tuberculosis Conserved protein 0.0035 0.1298 0.074
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.1298 0.074
Loa Loa (eye worm) hypothetical protein 0.001 0.0217 0.0215
Echinococcus multilocularis dna polymerase kappa 0.002 0.0635 0.1198
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0444 0.0475
Leishmania major DNA polymerase kappa, putative 0.002 0.0635 0.4771
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0011 0.0234 0.0049
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0217 0.0585

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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