TDR Targets

Basic information

Technical information

TDR Targets ID: 830289
Name: 2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino [5,4-b]indol-3-yl]-N-(3-methoxypropyl)acetami de
MW: 422.452 | Formula: C23H23FN4O3
H donors: 1 H acceptors: 2 LogP: 2.55 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COCCCNC(=O)Cn1ncc2c(c1=O)n(Cc1ccc(cc1)F)c1c2cccc1
InChi: 1S/C23H23FN4O3/c1-31-12-4-11-25-21(29)15-28-23(30)22-19(13-26-28)18-5-2-3-6-20(18)27(22)14-16-7-9-17(24)10-8-16/h2-3,5-10,13H,4,11-12,14-15H2,1H3,(H,25,29)
InChiKey: DPBXWFCKMIURIN-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

2-[5-[(4-fluorophenyl)methyl]-4-oxo-pyridazino[5,4-b]indol-3-yl]-N-(3-methoxypropyl)acetamide
2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-pyridazino[5,4-b]indolyl]-N-(3-methoxypropyl)acetamide
2-[5-(4-fluorobenzyl)-4-keto-pyridazino[5,4-b]indol-3-yl]-N-(3-methoxypropyl)acetamide
2-[5-[(4-fluorophenyl)methyl]-4-oxo-pyridazino[5,4-b]indol-3-yl]-N-(3-methoxypropyl)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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	1
Echinococcus granulosus	aldehyde reductase	0.0206	0.2679	0.2567
Trypanosoma brucei	prostaglandin f synthase	0.029	0.3993	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.029	0.3993	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.029	0.3993	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0044	0.015	0.0375
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1147	0.2595
Brugia malayi	Matrixin family protein	0.0108	0.1147	0.2595
Trichomonas vaginalis	malate dehydrogenase, putative	0.0044	0.015	0.0375
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0081	0.0723	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1147	0.2595
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.029	0.3993	0.3902
Trypanosoma brucei	aldo-keto reductase, putative	0.029	0.3993	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.029	0.3993	0.3902
Brugia malayi	NADH-dependent xylose reductase	0.0084	0.077	0.1613
Trichomonas vaginalis	aldo-keto reductase, putative	0.0084	0.077	0.1927
Schistosoma mansoni	potassium channel beta	0.0084	0.077	0.1613
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.029	0.3993	1
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0054	0.0297	0.0384
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0084	0.077	0.0629
Echinococcus multilocularis	aldo keto reductase	0.029	0.3993	0.3902
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0108	0.1147	0.2595
Mycobacterium ulcerans	hydrolase	0.0132	0.1516	0.2155
Brugia malayi	Matrixin family protein	0.0108	0.1147	0.2595
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0084	0.077	0.1613
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0084	0.077	0.1613
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1147	0.2595
Loa Loa (eye worm)	hypothetical protein	0.0132	0.1516	0.3554
Onchocerca volvulus		0.029	0.3993	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.029	0.3993	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.029	0.3993	1
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0674	1	1
Schistosoma mansoni	hypothetical protein	0.0105	0.11	0.2472
Onchocerca volvulus	Matrilysin homolog	0.0108	0.1147	0.1296
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	1
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0393	0.5606	0.554
Trichomonas vaginalis	malate dehydrogenase, putative	0.0044	0.015	0.0375
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0132	0.1516	0.3554
Schistosoma mansoni	aldo-keto reductase	0.029	0.3993	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	1
Loa Loa (eye worm)	apoptosis regulator protein	0.0054	0.0297	0.0384
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	1
Echinococcus multilocularis	aldo keto reductase	0.029	0.3993	0.3902
Loa Loa (eye worm)	oxidoreductase	0.029	0.3993	1
Mycobacterium ulcerans	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.0449	0.6488	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.029	0.3993	0.3902
Toxoplasma gondii	aldose reductase, putative	0.029	0.3993	0.5637
Mycobacterium leprae	Possible oxidoreductase	0.0084	0.077	0.0978
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	1
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0054	0.0297	0.015
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0044	0.015	0.0375
Onchocerca volvulus	Matrix metalloproteinase homolog	0.024	0.3208	0.7598
Loa Loa (eye worm)	matrix metalloproteinase	0.0108	0.1147	0.2595
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.029	0.3993	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0044	0.015	0.0375
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0081	0.0723	0.1492
Leishmania major	prostaglandin f synthase, putative	0.029	0.3993	1
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0132	0.1516	0.3554
Mycobacterium leprae	PROBABLE 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE DXR (DXP REDUCTOISOMERASE) (1-DEOXYXYLULOSE-5-PHOSPHATE REDUCTOISOMERAS	0.0449	0.6488	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.029	0.3993	0.3902
Mycobacterium ulcerans	hypothetical protein	0.0084	0.077	0.0978
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0297	0.0384
Entamoeba histolytica	aldose reductase, putative	0.029	0.3993	1
Giardia lamblia	Aldose reductase	0.029	0.3993	1
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0084	0.077	0.1613
Echinococcus granulosus	voltage gated potassium channel subunit	0.0084	0.077	0.0629
Onchocerca volvulus		0.0108	0.1147	0.1296
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0081	0.0723	0.1492
Entamoeba histolytica	aldose reductase, putative	0.029	0.3993	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.029	0.3993	0.6064
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.029	0.3993	0.3902
Echinococcus multilocularis	aldo keto reductase	0.029	0.3993	0.3902
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0084	0.077	0.1927
Mycobacterium ulcerans	oxidoreductase	0.029	0.3993	0.6064
Trichomonas vaginalis	aldo/keto reductase, putative	0.029	0.3993	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0044	0.015	0.0375
Trichomonas vaginalis	malate dehydrogenase, putative	0.0044	0.015	0.0375
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.029	0.3993	0.3902
Echinococcus granulosus	hypothetical protein	0.029	0.3993	0.3902
Chlamydia trachomatis	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.0449	0.6488	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0044	0.015	0.0375
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0084	0.077	0.1613
Trypanosoma cruzi	aldo-keto reductase	0.029	0.3993	1
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0054	0.0297	0.015
Trichomonas vaginalis	malate dehydrogenase, putative	0.0044	0.015	0.0375
Loa Loa (eye worm)	matrixin family protein	0.0261	0.3546	0.8837
Schistosoma mansoni	hypothetical protein	0.0153	0.1854	0.4435
Loa Loa (eye worm)	oxidoreductase	0.029	0.3993	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.029	0.3993	0.3902
Onchocerca volvulus		0.029	0.3993	1
Loa Loa (eye worm)	matrixin family protein	0.024	0.3208	0.7957
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.029	0.3993	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.029	0.3993	0.3902
Onchocerca volvulus	Matrilysin homolog	0.024	0.3208	0.7598
Schistosoma mansoni	aldo-keto reductase	0.029	0.3993	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.029	0.3993	0.3902
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.029	0.3993	0.3902
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0393	0.5606	0.554
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.029	0.3993	0.3902
Toxoplasma gondii	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	0.0449	0.6488	1
Onchocerca volvulus		0.029	0.3993	1
Schistosoma mansoni	hypothetical protein	0.0054	0.0297	0.0384
Trichomonas vaginalis	conserved hypothetical protein	0.0084	0.077	0.1927
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0054	0.0297	0.0384
Entamoeba histolytica	aldose reductase, putative	0.029	0.3993	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.029	0.3993	0.3902
Wolbachia endosymbiont of Brugia malayi	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.0449	0.6488	0.5
Onchocerca volvulus		0.0084	0.077	0.0142
Leishmania major	aldo-keto reductase-like protein	0.029	0.3993	1
Echinococcus multilocularis	aldehyde reductase	0.0206	0.2679	0.2567
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0084	0.077	0.0629
Mycobacterium tuberculosis	Conserved protein	0.0084	0.077	0.1613
Brugia malayi	Hemopexin family protein	0.0153	0.1854	0.4435
Trypanosoma brucei	RNA helicase, putative	0.0105	0.11	0.2472
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.029	0.3993	0.3902
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0044	0.015	0.0375
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.029	0.3993	0.3902
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0044	0.015	0.0375
Brugia malayi	Matrixin family protein	0.0108	0.1147	0.2595
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	1
Brugia malayi	Matrixin family protein	0.0261	0.3546	0.8837
Trypanosoma cruzi	aldo/keto reductase, putative	0.029	0.3993	1
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0084	0.077	0.1613
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.029	0.3993	0.3902
Trichomonas vaginalis	aldo-keto reductase, putative	0.0084	0.077	0.1927
Onchocerca volvulus		0.029	0.3993	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0044	0.015	0.0375
Loa Loa (eye worm)	oxidoreductase	0.029	0.3993	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.029	0.3993	0.3902
Onchocerca volvulus		0.0153	0.1854	0.3459
Schistosoma mansoni	hypothetical protein	0.0054	0.0297	0.0384
Echinococcus granulosus	aldo keto reductase	0.029	0.3993	0.3902
Plasmodium vivax	1-deoxy-D-xylulose 5-phosphate reductoisomerase, putative	0.0449	0.6488	1
Loa Loa (eye worm)	hypothetical protein	0.029	0.3993	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0044	0.015	0.0375
Onchocerca volvulus		0.029	0.3993	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.029	0.3993	0.3902
Echinococcus granulosus	L aminoadipate semialdehyde	0.0081	0.0723	0.0582
Loa Loa (eye worm)	oxidoreductase	0.029	0.3993	1
Plasmodium falciparum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.0449	0.6488	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0084	0.077	0.1927
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	1
Mycobacterium leprae	Conserved hypothetical protein	0.0206	0.2679	0.399
Trypanosoma cruzi	aldo/keto reductase, putative	0.0084	0.077	0.1613
Onchocerca volvulus		0.029	0.3993	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.029	0.3993	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0723	0.1492
Schistosoma mansoni	pol-related	0.029	0.3993	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.029	0.3993	1
Echinococcus granulosus	aldo keto reductase	0.029	0.3993	0.3902
Trichomonas vaginalis	malate dehydrogenase, putative	0.0044	0.015	0.0375
Trichomonas vaginalis	aldo-keto reductase, putative	0.029	0.3993	1
Giardia lamblia	Aldose reductase	0.029	0.3993	1
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0044	0.015	0.0375
Mycobacterium tuberculosis	Probable 1-deoxy-D-xylulose 5-phosphate reductoisomerase Dxr (DXP reductoisomerase) (1-deoxyxylulose-5-phosphate reductoisomeras	0.0108	0.1147	0.2594
Mycobacterium tuberculosis	Probable oxidoreductase	0.029	0.3993	1
Schistosoma mansoni	apoptosis regulator bax	0.0054	0.0297	0.0384
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.029	0.3993	0.3902
Schistosoma mansoni	hypothetical protein	0.0054	0.0297	0.0384
Trichomonas vaginalis	aldo/keto reductase, putative	0.029	0.3993	1
Trypanosoma brucei	aldo/keto reductase, putative	0.0084	0.077	0.1613
Mycobacterium leprae	PROBABLE HYDROLASE	0.0132	0.1516	0.2155
Echinococcus granulosus	aldo keto reductase	0.029	0.3993	0.3902
Brugia malayi	Matrixin family protein	0.0108	0.1147	0.2595
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.029	0.3993	0.3902
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.029	0.3993	1
Treponema pallidum	1-deoxy-D-xylulose 5-phosphate reductoisomerase	0.0449	0.6488	0.5
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.029	0.3993	0.3902
Loa Loa (eye worm)	oxidoreductase	0.029	0.3993	1
Echinococcus multilocularis	aldo keto reductase	0.029	0.3993	0.3902

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 830289