Detailed information for compound 830487

Basic information

Technical information
  • TDR Targets ID: 830487
  • Name: N-(2-diethylaminoethyl)-2-[5-[(4-fluorophenyl )methyl]-4-oxopyridazino[5,4-b]indol-3-yl]ace tamide
  • MW: 449.521 | Formula: C25H28FN5O2
  • H donors: 1 H acceptors: 2 LogP: 3.11 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCNC(=O)Cn1ncc2c(c1=O)n(Cc1ccc(cc1)F)c1c2cccc1)CC
  • InChi: 1S/C25H28FN5O2/c1-3-29(4-2)14-13-27-23(32)17-31-25(33)24-21(15-28-31)20-7-5-6-8-22(20)30(24)16-18-9-11-19(26)12-10-18/h5-12,15H,3-4,13-14,16-17H2,1-2H3,(H,27,32)
  • InChiKey: CEUDEHUBPNONAJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-diethylaminoethyl)-2-[5-[(4-fluorophenyl)methyl]-4-oxo-pyridazino[5,4-b]indol-3-yl]acetamide
  • N-(2-diethylaminoethyl)-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-pyridazino[5,4-b]indolyl]acetamide
  • N-(2-diethylaminoethyl)-2-[5-(4-fluorobenzyl)-4-keto-pyridazino[5,4-b]indol-3-yl]acetamide
  • N-(2-diethylaminoethyl)-2-[5-[(4-fluorophenyl)methyl]-4-oxo-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
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0108 0.16 0.2517
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0061 0.0729 0.1097
Mycobacterium leprae PROBABLE HYDROLASE 0.0021 0 0.5
Loa Loa (eye worm) PDE1B protein 0.0211 0.3482 0.3482
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.008 0.1088 0.3445
Loa Loa (eye worm) matrixin family protein 0.0042 0.0381 0.0381
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0026 0.0099 0.0041
Schistosoma mansoni glycogen phosphorylase 0.0108 0.1601 0.1792
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.008 0.1088 0.3445
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0351 0.6063 0.6992
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.008 0.1088 0.3445
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.008 0.1088 0.3445
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0058 0.0681 0.1013
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0061 0.0729 0.2194
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0082 0.1115 0.1703
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.008 0.1088 0.3445
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0082 0.1115 0.1115
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0126 0.1936 0.669
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0183 0.2971 1
Toxoplasma gondii hypothetical protein 0.0055 0.0618 0.3458
Schistosoma mansoni hypothetical protein 0.0492 0.8644 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.008 0.1088 0.3445
Entamoeba histolytica glycogen phosphorylase, putative 0.0108 0.1601 0.4517
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0056 0.0648 0.0643
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.016 0.2561 0.2881
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0108 0.16 0.5227
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0339 0.5841 0.672
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0082 0.1115 0.1115
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.008 0.1088 0.3445
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0084 0.1162 0.1783
Echinococcus multilocularis Glycosyl transferase, family 35 0.0108 0.1601 0.2519
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0026 0.0099 0.0041
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.008 0.1088 0.3445
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0026 0.0099 0.0041
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0026 0.0099 0.0041
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.008 0.1088 0.1195
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0648 0.0957
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0048 0.0489 0.068
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.008 0.1088 0.3445
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0603 0.1755
Echinococcus granulosus nuclear factor of activated T cells 5 0.0072 0.0938 0.1406
Schistosoma mansoni glycogen phosphorylase 0.0047 0.0473 0.0477
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0211 0.3482 0.5672
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0108 0.16 0.2517
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.008 0.1088 0.1723
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0211 0.3482 0.5672
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.008 0.1088 0.3445
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0026 0.0099 0.0099
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0063 0.0767 0.112
Brugia malayi carbohydrate phosphorylase 0.0108 0.1601 0.1601
Trichomonas vaginalis glycogen phosphorylase, putative 0.0108 0.1601 0.5231
Trypanosoma brucei RNA helicase, putative 0.0492 0.8644 1
Mycobacterium ulcerans hypothetical protein 0.0179 0.2894 0.9741
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0339 0.5841 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0046 0.0458 0.0458
Trichomonas vaginalis glycogen phosphorylase, putative 0.0108 0.1601 0.5231
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.016 0.2561 0.4287
Echinococcus granulosus Glycosyl transferase family 35 0.0108 0.1601 0.2519
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0061 0.0729 0.2194
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0351 0.6063 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.008 0.1088 0.3445
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.008 0.1088 0.3445
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0026 0.0099 0.0041
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0026 0.0099 0.0041
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.008 0.1088 0.3445
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0183 0.2971 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0183 0.2971 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0026 0.0099 0.0099
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0026 0.0099 0.5
Plasmodium falciparum phosphodiesterase gamma, putative 0.0026 0.0099 0.5
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0084 0.1162 0.1244
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0026 0.0099 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0648 0.0957
Trypanosoma brucei cAMP-specific phosphodiesterase 0.008 0.1088 0.1158
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.008 0.1088 0.3445
Chlamydia trachomatis glycogen phosphorylase 0.0108 0.1601 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.008 0.1088 0.1723
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0084 0.1162 0.1852
Echinococcus multilocularis glycogen phosphorylase 0.0108 0.1601 0.2519
Loa Loa (eye worm) hypothetical protein 0.0046 0.0458 0.0458
Echinococcus multilocularis glycogen phosphorylase 0.0108 0.1601 0.2519
Leishmania major mitochondrial DNA polymerase beta 0.0339 0.5841 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0179 0.2894 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.008 0.1088 0.1723
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.008 0.1088 0.3445
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.008 0.1088 0.3445
Brugia malayi Matrixin family protein 0.0042 0.0381 0.0381
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0056 0.0648 0.1913
Loa Loa (eye worm) hypothetical protein 0.0026 0.0099 0.0099
Onchocerca volvulus Matrilysin homolog 0.0038 0.0317 0.0873
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0047 0.0473 0.1592
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0063 0.0767 0.112
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0046 0.0458 0.1251
Loa Loa (eye worm) glycogen phosphorylase 0.0108 0.1601 0.1601
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.0489 0.068
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0183 0.2971 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.008 0.1088 0.3445
Trypanosoma brucei cAMP-specific phosphodiesterase 0.008 0.1088 0.1158
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.016 0.2561 0.4287
Schistosoma mansoni memapsin-2 (A01 family) 0.0438 0.7657 0.885
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0351 0.6063 0.6063
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0108 0.16 0.2517
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0048 0.0489 0.0457
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0603 0.1755
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0339 0.5841 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0056 0.0648 0.1913
Toxoplasma gondii hypothetical protein 0.0054 0.0603 0.3358
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.008 0.1088 0.3445
Loa Loa (eye worm) hypothetical protein 0.0565 1 1
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0026 0.0099 0.0041
Echinococcus granulosus glycogen phosphorylase 0.0108 0.1601 0.2519
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0108 0.16 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0183 0.2971 1
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0047 0.0473 0.1634
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.008 0.1088 0.3445
Plasmodium falciparum phosphodiesterase delta, putative 0.0026 0.0099 0.5
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0108 0.16 0.1791
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0351 0.6063 0.6063
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.008 0.1088 0.3445
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0183 0.2971 1
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0046 0.0458 0.0603
Brugia malayi Hemopexin family protein 0.0024 0.0063 0.0063
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.008 0.1088 0.3445
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.008 0.1088 0.3445
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0183 0.2971 1
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0084 0.1162 0.1852
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.008 0.1088 0.3445
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0183 0.2971 1
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0603 0.1755
Loa Loa (eye worm) hypothetical protein 0.0108 0.16 0.16
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0046 0.0458 0.0603
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0041 0.0367 0.0354
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0183 0.2971 0.2971
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0026 0.0099 0.0099
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0084 0.1162 0.1852
Onchocerca volvulus Matrix metalloproteinase homolog 0.0038 0.0317 0.0873
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.008 0.1088 0.3445
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0084 0.1162 0.1783
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0082 0.1115 0.1703
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0183 0.2971 1
Giardia lamblia Glycogen phosphorylase 0.0108 0.1601 0.5231
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0183 0.2971 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0046 0.0458 0.1251
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0084 0.1162 0.7083
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0084 0.1162 1
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0026 0.0099 0.5
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0211 0.3482 0.3984
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0072 0.0938 0.1406
Trichomonas vaginalis conserved hypothetical protein 0.008 0.1088 0.3445
Loa Loa (eye worm) hypothetical protein 0.0026 0.0099 0.0099
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0026 0.0099 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.008 0.1088 0.3445
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.0489 0.068
Onchocerca volvulus Glycogen phosphorylase homolog 0.0108 0.1601 0.5289
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0046 0.0458 0.0458
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0183 0.2971 0.2971
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.008 0.1088 0.1659
Echinococcus granulosus glycogen phosphorylase 0.0108 0.1601 0.2519
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0046 0.0458 0.1251
Leishmania major hypothetical protein, conserved 0.0056 0.0648 0.0957
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0084 0.1162 0.7083
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0026 0.0099 0.0099
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.008 0.1088 0.3445
Schistosoma mansoni glycogen phosphorylase 0.0108 0.1601 0.1792
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.008 0.1088 0.3445
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0211 0.3482 0.3482
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0351 0.6063 1
Entamoeba histolytica glycogen phosphorylase, putative 0.0108 0.1601 0.4517
Loa Loa (eye worm) matrixin family protein 0.0038 0.0317 0.0317
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.008 0.1088 0.1659
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0046 0.0458 0.046
Onchocerca volvulus 0.0183 0.2971 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.008 0.1088 0.3445
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0108 0.16 0.2517

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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