Detailed information for compound 1426172

Basic information

Technical information
  • TDR Targets ID: 1426172
  • Name: methyl 4-[[4-(3,4-dimethyl-2-phenylpyrazolo[3 ,4-d]pyridazin-7-yl)piperazine-1-carbonyl]ami no]benzoate
  • MW: 485.538 | Formula: C26H27N7O3
  • H donors: 1 H acceptors: 5 LogP: 2.92 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)NC(=O)N1CCN(CC1)c1nnc(c2c1nn(c2C)c1ccccc1)C
  • InChi: 1S/C26H27N7O3/c1-17-22-18(2)33(21-7-5-4-6-8-21)30-23(22)24(29-28-17)31-13-15-32(16-14-31)26(35)27-20-11-9-19(10-12-20)25(34)36-3/h4-12H,13-16H2,1-3H3,(H,27,35)
  • InChiKey: GBBRMQIGSBDHHL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 4-[[4-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)piperazine-1-carbonyl]amino]benzoate
  • 4-[[[4-(3,4-dimethyl-2-phenyl-7-pyrazolo[3,4-d]pyridazinyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid methyl ester
  • 4-[[4-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)piperazine-1-carbonyl]amino]benzoic acid methyl ester
  • methyl 4-[[4-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)piperazin-1-yl]carbonylamino]benzoate
  • G209-0035
  • NCGC00129296-01

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 Pleckstrin G protein interacting region 0.0009 0.0056 0.0033
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0056 0.0048
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0044 0.0021
Loa Loa (eye worm) hypothetical protein 0.0181 0.2294 0.3246
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0023 0.0023
Mycobacterium leprae conserved hypothetical protein 0.004 0.0465 0.5
Loa Loa (eye worm) TAR-binding protein 0.0211 0.2694 0.3816
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0056 0.0033
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0465 0.0632
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0044 0.0044
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0056 0.0033
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0035 0.0018
Brugia malayi hypothetical protein 0.0009 0.0056 0.0048
Echinococcus multilocularis microtubule associated protein 2 0.0772 1 1
Brugia malayi hypothetical protein 0.0009 0.0056 0.0048
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0056 0.0033
Schistosoma mansoni tar DNA-binding protein 0.0211 0.2694 0.2694
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0667 0.092
Leishmania major hypothetical protein, conserved 0.004 0.0465 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.017 0.021
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0069 0.0047
Schistosoma mansoni hypothetical protein 0.019 0.241 0.241
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0056 0.0056
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.0733 1
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0056 0.0033
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0023 0.5
Schistosoma mansoni dep domain containing protein 0.0009 0.0056 0.0056
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0035 0.0018
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0035 0.0018
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0044 0.0021
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0044 0.0021
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0465 0.0632
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0465 0.0465
Schistosoma mansoni hypothetical protein 0.0038 0.0437 0.0437
Loa Loa (eye worm) glutaminase 0.0544 0.7022 1
Schistosoma mansoni tar DNA-binding protein 0.0211 0.2694 0.2694
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0667 0.092
Onchocerca volvulus 0.004 0.0465 0.1947
Schistosoma mansoni ras GTP exchange factor 0.0006 0.0023 0.0023
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0257 0.3293 1
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0056 0.0048
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0068 0.0828 0.0828
Loa Loa (eye worm) hypothetical protein 0.0009 0.0056 0.0048
Onchocerca volvulus 0.0032 0.0359 0.1479
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0056 0.0048
Loa Loa (eye worm) hypothetical protein 0.004 0.0465 0.0632
Brugia malayi CXXC zinc finger family protein 0.0032 0.0359 0.048
Loa Loa (eye worm) hypothetical protein 0.004 0.0465 0.0632
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0359 0.048
Schistosoma mansoni hypothetical protein 0.019 0.241 0.241
Schistosoma mansoni dishevelled 0.0009 0.0056 0.0056
Schistosoma mansoni dishevelled 0.0009 0.0056 0.0056
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0035 0.0018
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0056 0.0056
Plasmodium vivax hypothetical protein, conserved 0.004 0.0465 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0023 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0211 0.2694 0.3816
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0023 0.5
Schistosoma mansoni hypothetical protein 0.0018 0.017 0.017
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0056 0.0033
Loa Loa (eye worm) beta-lactamase 0.004 0.0465 0.0632
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0465 0.0632
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0023 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0023 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.0465 0.0632
Trichomonas vaginalis glutaminase, putative 0.0544 0.7022 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0044 0.0021
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0023 0.5
Schistosoma mansoni tar DNA-binding protein 0.0211 0.2694 0.2694
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0023 0.5
Loa Loa (eye worm) RNA binding protein 0.0211 0.2694 0.3816
Loa Loa (eye worm) hypothetical protein 0.0009 0.0056 0.0048
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0023 0.5
Schistosoma mansoni cpg binding protein 0.0034 0.0382 0.0382
Echinococcus multilocularis geminin 0.019 0.241 0.2393
Schistosoma mansoni hypothetical protein 0.0458 0.5903 0.5903
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0035 0.0018
Brugia malayi TAR-binding protein 0.0211 0.2694 0.3816
Brugia malayi glutaminase DH11.1 0.0544 0.7022 1
Schistosoma mansoni hypothetical protein 0.0018 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.0038 0.0437 0.0592
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0035 0.0018
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0465 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0465 0.0465
Loa Loa (eye worm) histone methyltransferase 0.001 0.0069 0.0067
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.017 0.0148
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0056 0.0048
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0023 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0035 0.0018
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0023 0.5
Brugia malayi N-terminal motif family protein 0.0181 0.2294 0.3246
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0056 0.0033
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0056 0.0033
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0035 0.0018
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0035 0.0018
Echinococcus multilocularis cpg binding protein 0.0034 0.0382 0.0361
Onchocerca volvulus 0.0009 0.0056 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0023 0.5
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0056 0.0056
Mycobacterium leprae Probable lipase LipE 0.004 0.0465 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.017 0.021
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0023 0.0023
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0465 0.0632
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0056 0.0048
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0035 0.0018
Echinococcus granulosus cpg binding protein 0.0034 0.0382 0.0361
Echinococcus multilocularis GPCR, family 2 0.0018 0.017 0.0148
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0667 0.092
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0035 0.0018
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.017 0.021
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0056 0.0146
Brugia malayi beta-lactamase 0.004 0.0465 0.0632
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0465 0.0632
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0068 0.0065
Schistosoma mansoni cpg binding protein 0.0034 0.0382 0.0382
Schistosoma mansoni hypothetical protein 0.0018 0.017 0.017
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0465 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.0465 0.0632
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.017 0.0148
Trichomonas vaginalis esterase, putative 0.004 0.0465 0.0632
Loa Loa (eye worm) hypothetical protein 0.004 0.0465 0.0632
Echinococcus multilocularis dnaJ subfamily B 0.0458 0.5903 0.5894
Onchocerca volvulus 0.004 0.0465 0.1947
Loa Loa (eye worm) glutaminase 2 0.0544 0.7022 1
Brugia malayi Latrophilin receptor protein 2 0.0018 0.017 0.021
Echinococcus granulosus GPCR family 2 0.0018 0.017 0.0148
Mycobacterium ulcerans glutaminase 0.0544 0.7022 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0035 0.0018
Brugia malayi DIX domain containing protein 0.0009 0.0056 0.0048
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0006 0.0019 0.0019
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0181 0.2294 1
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0465 0.0632
Trichomonas vaginalis helicase, putative 0.0007 0.0035 0.0018
Entamoeba histolytica hypothetical protein 0.0006 0.0023 0.5
Echinococcus granulosus geminin 0.019 0.241 0.2393
Brugia malayi RNA binding protein 0.0211 0.2694 0.3816
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0006 0.0023 0.0023
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0465 1
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0056 0.0033
Brugia malayi beta-lactamase family protein 0.004 0.0465 0.0632
Brugia malayi RNA recognition motif domain containing protein 0.0211 0.2694 0.3816
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0056 0.0033
Schistosoma mansoni hypothetical protein 0.0018 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.0009 0.0056 0.0048
Echinococcus multilocularis tar DNA binding protein 0.0211 0.2694 0.2677
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0035 0.0018
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0056 0.0667 0.092
Brugia malayi beta-lactamase family protein 0.004 0.0465 0.0632
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0465 0.0632
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0437 0.0592
Echinococcus granulosus dnaJ subfamily B 0.0458 0.5903 0.5894
Loa Loa (eye worm) hypothetical protein 0.004 0.0465 0.0632
Echinococcus granulosus tar DNA binding protein 0.0211 0.2694 0.2677
Schistosoma mansoni glutaminase 0.0544 0.7022 0.7022
Toxoplasma gondii ABC1 family protein 0.004 0.0465 0.6039
Schistosoma mansoni microtubule-associated protein tau 0.0772 1 1
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0465 0.0443
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.017 0.0148
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0035 0.0018
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0023 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0465 0.0443
Onchocerca volvulus 0.004 0.0465 0.1947
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0035 0.0018
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0035 0.0018
Schistosoma mansoni tar DNA-binding protein 0.0211 0.2694 0.2694
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0069 0.0047
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0035 0.0018
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0006 0.0023 0.5
Schistosoma mansoni tar DNA-binding protein 0.0211 0.2694 0.2694
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.017 0.0148
Schistosoma mansoni cpg binding protein 0.0032 0.0359 0.0359

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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