Detailed information for compound 863356

Basic information

Technical information
  • TDR Targets ID: 863356
  • Name: N-[(4-methylphenyl)methyl]-2-(4-oxo-5-propylp yridazino[5,4-b]indol-3-yl)acetamide
  • MW: 388.462 | Formula: C23H24N4O2
  • H donors: 1 H acceptors: 2 LogP: 3.33 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCn1c2ccccc2c2c1c(=O)n(nc2)CC(=O)NCc1ccc(cc1)C
  • InChi: 1S/C23H24N4O2/c1-3-12-26-20-7-5-4-6-18(20)19-14-25-27(23(29)22(19)26)15-21(28)24-13-17-10-8-16(2)9-11-17/h4-11,14H,3,12-13,15H2,1-2H3,(H,24,28)
  • InChiKey: OVWPEIJYXARNPS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(4-methylphenyl)methyl]-2-(4-oxo-5-propyl-pyridazino[5,4-b]indol-3-yl)acetamide
  • N-[(4-methylphenyl)methyl]-2-(4-oxo-5-propyl-3-pyridazino[5,4-b]indolyl)acetamide
  • 2-(4-keto-5-propyl-pyridazino[5,4-b]indol-3-yl)-N-(4-methylbenzyl)acetamide
  • N-[(4-methylphenyl)methyl]-2-(4-oxo-5-propyl-pyridazino[5,4-b]indol-3-yl)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
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0025 0.0098
Brugia malayi MH2 domain containing protein 0.001 0.0004 0.0004
Brugia malayi Fatty acid elongation protein 3 0.161 0.2553 0.2553
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.0401 0.0628 1
Entamoeba histolytica hypothetical protein 0.0042 0.0056 0.9851
Brugia malayi Hypothetical 34.1 kDa protein C40H1.4 in chromosome III 0.0401 0.0628 0.0628
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0014 0.0054
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0038 0.0049 0.5
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0025 0.0195
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0073 0.0104 0.0812
Trypanosoma cruzi fatty acid elongase, putative 0.0401 0.0628 0.246
Leishmania major fatty acid elongase, putative 0.161 0.2553 1
Loa Loa (eye worm) GNS1/SUR4 family protein 0.161 0.2553 0.2553
Leishmania major fatty acid elongase, putative 0.0401 0.0628 0.246
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0042 0.0056 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0025 0.0098
Plasmodium vivax long chain polyunsaturated fatty acid elongation enzyme, putative 0.0419 0.0656 0.2568
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0025 0.0164
Onchocerca volvulus 0.0401 0.0628 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0046 0.0046
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0025 0.0098
Echinococcus multilocularis elongation of very long chain fatty acids 0.0401 0.0628 0.4872
Onchocerca volvulus 0.0401 0.0628 1
Echinococcus multilocularis dnaJ subfamily B 0.0479 0.0751 0.583
Schistosoma mansoni elongation of fatty acids protein 1 0.0419 0.0656 0.5102
Onchocerca volvulus 0.028 0.0435 0.6702
Schistosoma mansoni inositol monophosphatase 0.0042 0.0056 0.0438
Echinococcus multilocularis microtubule associated protein 2 0.0814 0.1285 1
Trichomonas vaginalis set domain proteins, putative 0.028 0.0435 0.8729
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0025 0.0098
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0025 0.0098
Leishmania major fatty acid elongase, putative 0.0401 0.0628 0.246
Schistosoma mansoni cpg binding protein 0.0034 0.0042 0.0329
Schistosoma mansoni inositol monophosphatase 0.0042 0.0056 0.0438
Trypanosoma brucei Long chain fatty acyl elongase 0.0419 0.0656 0.2568
Loa Loa (eye worm) inositol-1 0.0042 0.0056 0.0056
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0074 0.0546
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0046 0.018
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0046 0.0358
Toxoplasma gondii GNS1/SUR4 family protein 0.161 0.2553 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0246 0.0381 0.0381
Trypanosoma cruzi fatty acid elongase, putative 0.161 0.2553 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0056 0.1114
Schistosoma mansoni smad1 5 8 and 0.001 0.0004 0.0031
Trypanosoma cruzi fatty acid elongase, putative 0.161 0.2553 1
Entamoeba histolytica hypothetical protein 0.0042 0.0056 0.9851
Echinococcus granulosus mixed lineage leukemia protein mll 0.001 0.0004 0.0001
Trypanosoma brucei unspecified product 0.0016 0.0014 0.0054
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0025 0.0485
Trypanosoma cruzi fatty acid elongase, putative 0.0401 0.0628 0.246
Leishmania major fatty acid elongase, putative 0.0401 0.0628 0.246
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0025 0.0098
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0025 0.0098
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0042 0.0056 0.022
Leishmania major fatty acid elongase, putative 0.0401 0.0628 0.246
Brugia malayi MH1 domain containing protein 0.001 0.0004 0.0004
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0025 0.0164
Trypanosoma cruzi fatty acid elongase, putative 0.0419 0.0656 0.2568
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.0074 0.0074
Trypanosoma cruzi fatty acid elongase, putative 0.161 0.2553 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0025 0.0098
Echinococcus granulosus elongation of very long chain fatty acids 0.0401 0.0628 0.4872
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0025 0.0098
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0025 0.0195
Schistosoma mansoni smad 0.001 0.0004 0.0031
Trichomonas vaginalis inositol monophosphatase, putative 0.0042 0.0056 0.1114
Brugia malayi MH1 domain containing protein 0.001 0.0004 0.0004
Toxoplasma gondii fatty acid elongase 0.0419 0.0656 0.2568
Plasmodium vivax elongation of very long chain fatty acids protein 3, putative 0.0401 0.0628 0.246
Echinococcus granulosus dna polymerase kappa 0.0023 0.0025 0.0164
Loa Loa (eye worm) transcription factor SMAD2 0.0141 0.0213 0.0213
Leishmania major DNA polymerase kappa, putative 0.0023 0.0025 0.0098
Brugia malayi Pre-SET motif family protein 0.0246 0.0381 0.0381
Leishmania major fatty acid elongase, putative 0.0401 0.0628 0.246
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0056 0.022
Loa Loa (eye worm) fatty acid elongation protein 3 0.0401 0.0628 0.0628
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0056 0.022
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0025 0.0098
Trypanosoma brucei Fatty acid elongase 0.0401 0.0628 0.246
Entamoeba histolytica hypothetical protein 0.0042 0.0056 0.9851
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0074 0.0576
Trypanosoma brucei elongation of very long chain fatty acids protein, putative 0.0419 0.0656 0.2568
Loa Loa (eye worm) hypothetical protein 0.0023 0.0025 0.0025
Echinococcus granulosus microtubule associated protein 2 0.0814 0.1285 1
Onchocerca volvulus 0.0036 0.0046 0.0064
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0074 0.0576
Leishmania major fatty acid elongase, putative 0.0401 0.0628 0.246
Loa Loa (eye worm) histone methyltransferase 0.0012 0.0007 0.0007
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0025 0.0098
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0056 0.022
Brugia malayi hypothetical protein 0.0042 0.0056 0.0056
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0046 0.0358
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0025 0.0098
Mycobacterium ulcerans glutaminase 0.032 0.0498 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0046 0.0328
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0046 0.0328
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0056 0.0434
Leishmania major fatty acid elongase, putative 0.0401 0.0628 0.246
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0025 0.0025
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0074 0.0546
Trypanosoma cruzi fatty acid elongase, putative 0.0401 0.0628 0.246
Brugia malayi Inositol-1 0.0042 0.0056 0.0056
Echinococcus multilocularis inositol monophosphatase 1 0.0042 0.0056 0.0408
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0042 0.0056 0.5
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0042 0.0056 0.1129
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0025 0.0164
Schistosoma mansoni DNA polymerase eta 0.0023 0.0025 0.0195
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0074 0.0546
Loa Loa (eye worm) ELO-9 protein 0.0401 0.0628 0.0628
Giardia lamblia DINP protein human, muc B family 0.0023 0.0025 1
Brugia malayi CXXC zinc finger family protein 0.0034 0.0042 0.0042
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0004 0.0031
Echinococcus multilocularis mixed lineage leukemia protein mll 0.001 0.0004 0.0001
Trypanosoma brucei Fatty acid elongase 0.161 0.2553 1
Schistosoma mansoni cpg binding protein 0.0036 0.0045 0.0353
Schistosoma mansoni smad1 5 8 and 0.001 0.0004 0.0031
Schistosoma mansoni mixed-lineage leukemia protein mll 0.001 0.0004 0.0032
Schistosoma mansoni elongation of fatty acids protein 1 0.0419 0.0656 0.5102
Schistosoma mansoni glutaminase 0.032 0.0498 0.3876
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0014 0.0054
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0025 0.0098
Brugia malayi Smad1 0.001 0.0004 0.0004
Brugia malayi MH2 domain containing protein 0.001 0.0004 0.0004
Loa Loa (eye worm) glutaminase 2 0.032 0.0498 0.0498
Brugia malayi glutaminase DH11.1 0.032 0.0498 0.0498
Toxoplasma gondii histone lysine methyltransferase SET1 0.0065 0.0092 0.0361
Leishmania major DNA polymerase eta, putative 0.0023 0.0025 0.0098
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0004 0.0001
Leishmania major fatty acid elongase, putative 0.0401 0.0628 0.246
Trypanosoma brucei unspecified product 0.0016 0.0014 0.0054
Echinococcus multilocularis dna polymerase eta 0.0023 0.0025 0.0164
Loa Loa (eye worm) fatty acid elongation protein 3 0.161 0.2553 0.2553
Echinococcus granulosus inositol monophosphatase 1 0.0042 0.0056 0.0408
Brugia malayi fatty acid elongation protein 3 0.0401 0.0628 0.0628
Trypanosoma cruzi fatty acid elongase, putative 0.161 0.2553 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0046 0.0358
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0046 0.0358
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0025 0.0025
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0025 0.0502
Echinococcus granulosus dnaJ subfamily B 0.0479 0.0751 0.583
Schistosoma mansoni Smad4 0.001 0.0004 0.0031
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0042 0.0056 0.022
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0042 0.0056 0.1114
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0025 0.0098
Loa Loa (eye worm) GNS1/SUR4 family protein 0.6285 1 1
Schistosoma mansoni smad1 5 8 and 0.001 0.0004 0.0031
Trichomonas vaginalis glutaminase, putative 0.032 0.0498 1
Leishmania major fatty acid elongase, putative 0.161 0.2553 1
Plasmodium falciparum long chain polyunsaturated fatty acid elongation enzyme, putative 0.0419 0.0656 0.2568
Loa Loa (eye worm) MH2 domain-containing protein 0.0141 0.0213 0.0213
Trypanosoma brucei unspecified product 0.0023 0.0025 0.0098
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0007 0.0026
Trypanosoma cruzi fatty acid elongase, putative 0.0419 0.0656 0.2568
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0074 0.0576
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0046 0.0328
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.0401 0.0628 1
Echinococcus granulosus cpg binding protein 0.0036 0.0045 0.0322
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0025 0.0485
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0004 0.0004
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0025 0.0502
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0025 0.0098
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0056 0.0404
Leishmania major long chain polyunsaturated fatty acid elongation enzyme-like protein 0.0419 0.0656 0.2568
Leishmania major fatty acid elongase, putative 0.0401 0.0628 0.246
Toxoplasma gondii integral membrane protein, GNS1/SUR4 family protein, putative 0.161 0.2553 1
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0004 0.0004
Schistosoma mansoni fatty acid acyl transferase-related 0.0419 0.0656 0.5102
Loa Loa (eye worm) glutaminase 0.032 0.0498 0.0498
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0025 0.0098
Schistosoma mansoni elongation of fatty acids protein 1 0.0401 0.0628 0.4888
Entamoeba histolytica hypothetical protein 0.0042 0.0056 0.9851
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0004 0.0001
Leishmania major fatty acid elongase, putative 0.161 0.2553 1
Brugia malayi MH2 domain containing protein 0.0141 0.0213 0.0213
Brugia malayi fatty acid elongation protein 3 0.0401 0.0628 0.0628
Brugia malayi GNS1/SUR4 family protein 0.161 0.2553 0.2553
Loa Loa (eye worm) Smad1 0.001 0.0004 0.0004
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0038 0.0049 1
Onchocerca volvulus Elongation of very long chain fatty acids protein 5 homolog 0.0401 0.0628 1
Echinococcus granulosus elongation of very long chain fatty acids 0.0419 0.0656 0.5087
Loa Loa (eye worm) fatty acid elongation protein 3 0.0401 0.0628 0.0628
Echinococcus multilocularis cpg binding protein 0.0036 0.0045 0.0322
Schistosoma mansoni cpg binding protein 0.0036 0.0045 0.0353
Trypanosoma brucei Fatty acid elongase 0.0401 0.0628 0.246
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0014 0.0054
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0025 0.0098
Schistosoma mansoni elongation of fatty acids protein 1 0.0401 0.0628 0.4888
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0025 0.0025
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0025 0.0098
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0007 0.0007
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0025 0.0098
Loa Loa (eye worm) hypothetical protein 0.0036 0.0046 0.0046
Loa Loa (eye worm) fatty acid elongation protein 3 0.0401 0.0628 0.0628
Brugia malayi fatty acid elongation protein 3 0.0401 0.0628 0.0628
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0074 0.0546
Leishmania major fatty acid elongase, putative 0.0419 0.0656 0.2568
Schistosoma mansoni microtubule-associated protein tau 0.0814 0.1285 1
Schistosoma mansoni hypothetical protein 0.0042 0.0056 0.0434
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0056 0.0404
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.0043 0.0302
Plasmodium vivax GNS1/SUR4 domain containing protein 0.161 0.2553 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0025 0.0098
Brugia malayi fatty acid elongation protein 3 0.0401 0.0628 0.0628
Loa Loa (eye worm) hypothetical protein 0.0401 0.0628 0.0628
Loa Loa (eye worm) CXXC zinc finger family protein 0.0034 0.0042 0.0042
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0074 0.0074
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0007 0.0026
Plasmodium falciparum fatty acid elongation protein, GNS1/SUR4 family, putative 0.161 0.2553 1
Plasmodium falciparum long chain fatty acid elongation enzyme, putative 0.161 0.2553 1
Echinococcus multilocularis elongation of very long chain fatty acids 0.0419 0.0656 0.5087
Plasmodium vivax SET domain protein, putative 0.0036 0.0046 0.018
Trypanosoma cruzi fatty acid elongase, putative 0.0401 0.0628 0.246
Echinococcus granulosus dna polymerase eta 0.0023 0.0025 0.0164
Schistosoma mansoni hypothetical protein 0.0479 0.0751 0.5843

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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