TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 462.476 | Formula: C24H23FN6O3
H donors: 1 H acceptors: 6 LogP: 3.11 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1C(=O)N1CCC(CC1)c1nc(O)c2c(n1)n(nn2)Cc1ccccc1F
InChi: 1S/C24H23FN6O3/c1-34-19-9-5-3-7-17(19)24(33)30-12-10-15(11-13-30)21-26-22-20(23(32)27-21)28-29-31(22)14-16-6-2-4-8-18(16)25/h2-9,15H,10-14H2,1H3,(H,26,27,32)
InChiKey: JKMWOUFOVHCPTK-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

No synonyms found for this compound

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
Echinococcus multilocularis	adam	0.0661	0.2757	0.6745
Brugia malayi	Thrombospondin type 1 domain containing protein	0.0046	0.005	0.005
Schistosoma mansoni	hypothetical protein	0.0164	0.057	0.1395
Loa Loa (eye worm)	thrombospondin type 1 domain-containing protein	0.0046	0.005	0.005
Toxoplasma gondii	thrombospondin type 1 domain-containing protein	0.0046	0.005	1
Echinococcus granulosus	SPONdin extracellular matrix glycoprotein	0.0046	0.005	0.0122
Echinococcus granulosus	L aminoadipate semialdehyde	0.0081	0.0201	0.0493
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0267	0.0267
Leishmania major	hypothetical protein, conserved	0.0035	0	0.5
Echinococcus multilocularis	protein patched	0.0041	0.0027	0.0065
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0312	0.1222	0.299
Loa Loa (eye worm)	hypothetical protein	0.2305	1	1
Echinococcus granulosus	sterol regulatory element binding protein	0.0041	0.0027	0.0065
Plasmodium vivax	hypothetical protein, conserved	0.0046	0.005	1
Onchocerca volvulus		0.0081	0.0201	0.066
Toxoplasma gondii	thrombospondin type 1 domain-containing protein	0.0046	0.005	1
Onchocerca volvulus	Papilin homolog	0.0728	0.3052	1
Echinococcus multilocularis	neurogenic locus notch protein	0.0046	0.005	0.0122
Onchocerca volvulus		0.0046	0.005	0.0163
Plasmodium vivax	circumsporozoite- and TRAP-related protein, putative	0.0046	0.005	1
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0081	0.0201	0.0493
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0027	0.0027
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0046	0.005	0.005
Plasmodium falciparum	circumsporozoite- and TRAP-related protein	0.0046	0.005	0.5
Echinococcus multilocularis	adamTS protein 3	0.0046	0.005	0.0122
Echinococcus granulosus	hemicentin 1	0.0046	0.005	0.0122
Brugia malayi	Kunitz/Bovine pancreatic trypsin inhibitor domain containing protein	0.0046	0.005	0.005
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1222	0.1222
Brugia malayi	metalloprotease	0.0312	0.1222	0.1222
Loa Loa (eye worm)	hypothetical protein	0.0046	0.005	0.005
Echinococcus granulosus	connective tissue growth factor	0.0046	0.005	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0348	0.1381	0.1381
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0	0.5
Mycobacterium ulcerans	lipase LipD	0.0035	0	0.5
Onchocerca volvulus	Properdin homolog	0.0046	0.005	0.0163
Brugia malayi	angiogenesis inhibito	0.0707	0.2961	0.2961
Mycobacterium leprae	Probable lipase LipE	0.0035	0	0.5
Onchocerca volvulus	Netrin receptor homolog	0.0046	0.005	0.0163
Schistosoma mansoni	hypothetical protein	0.0046	0.005	0.0122
Echinococcus multilocularis	SPONdin (extracellular matrix glycoprotein)	0.0046	0.005	0.0122
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0081	0.0201	0.0201
Echinococcus granulosus	RPE spondin	0.0046	0.005	0.0122
Mycobacterium ulcerans	hypothetical protein	0.0035	0	0.5
Echinococcus multilocularis	subfamily M12B unassigned peptidase	0.0312	0.1222	0.299
Schistosoma mansoni	ADAMTS5 peptidase (M12 family)	0.0963	0.4087	1
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0312	0.1222	0.299
Plasmodium vivax	circumsporozoite (CS) protein	0.0046	0.005	1
Schistosoma mansoni	adam (A disintegrin and metalloprotease	0.0661	0.2757	0.6745
Loa Loa (eye worm)	reprolysin	0.0312	0.1222	0.1222
Toxoplasma gondii	sushi domain (scr repeat) domain-containing protein	0.0046	0.005	1
Brugia malayi	Thrombospondin type 1 domain containing protein	0.0046	0.005	0.005
Brugia malayi	Thrombospondin type 1 domain containing protein	0.0046	0.005	0.005
Loa Loa (eye worm)	metalloprotease	0.0312	0.1222	0.1222
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0233	0.0233
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0095	0.0267	0.5
Loa Loa (eye worm)	thrombospondin type 1 domain-containing protein	0.0046	0.005	0.005
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0081	0.0201	0.0493
Echinococcus multilocularis	hemicentin 1	0.0046	0.005	0.0122
Echinococcus multilocularis	expressed conserved protein	0.009	0.0241	0.059
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0046	0.005	0.005
Loa Loa (eye worm)	hypothetical protein	0.0046	0.005	0.005
Echinococcus granulosus	acidic fibroblast growth factor intracellular	0.0046	0.005	0.0122
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0	0.5
Schistosoma mansoni	complement component C8 beta	0.0046	0.005	0.0122
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.0829	1
Echinococcus granulosus	neurogenic locus notch protein	0.0046	0.005	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0046	0.005	0.005
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0046	0.005	0.005
Brugia malayi	Thrombospondin type 1 domain containing protein	0.0046	0.005	0.005
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0059	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0661	0.2757	0.2757
Schistosoma mansoni	ADAMTS14 peptidase (M12 family)	0.0312	0.1222	0.299
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0201	0.0201
Toxoplasma gondii	microneme protein MIC2	0.0046	0.005	1
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1222	0.1222
Echinococcus granulosus	expressed conserved protein	0.009	0.0241	0.059
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0097	0.0273	0.0669
Echinococcus granulosus	a disintegrin and metalloproteinase with	0.0963	0.4087	1
Echinococcus granulosus	subfamily M12B unassigned peptidase	0.0312	0.1222	0.299
Onchocerca volvulus		0.0046	0.005	0.0163
Echinococcus multilocularis	protein dispatched 1	0.0047	0.0052	0.0128
Loa Loa (eye worm)	hypothetical protein	0.0728	0.3052	0.3052
Schistosoma mansoni	hypothetical protein	0.0164	0.057	0.1395
Brugia malayi	CHE-14 protein	0.0041	0.0027	0.0027
Schistosoma mansoni	hypothetical protein	0.0039	0.002	0.0049
Mycobacterium ulcerans	beta-lactamase	0.0035	0	0.5
Schistosoma mansoni	hypothetical protein	0.0046	0.005	0.0122
Brugia malayi	hypothetical protein	0.0088	0.0233	0.0233
Loa Loa (eye worm)	zinc metalloproteinase toh-2	0.0046	0.005	0.005
Brugia malayi	Thrombospondin type 1 domain containing protein	0.0046	0.005	0.005
Onchocerca volvulus		0.0046	0.005	0.0163
Echinococcus multilocularis	Niemann Pick C1 protein	0.0095	0.0267	0.0653
Schistosoma mansoni	adamts (A disintegrin and metalloprotease	0.0046	0.005	0.0122
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0	0.5
Brugia malayi	MH2 domain containing protein	0.0235	0.0881	0.0881
Echinococcus multilocularis	Niemann Pick C1 protein	0.0136	0.0447	0.1094
Brugia malayi	Thrombospondin type 1 domain containing protein	0.0046	0.005	0.005
Schistosoma mansoni	hypothetical protein	0.0046	0.005	0.0122
Schistosoma mansoni	hypothetical protein	0.0039	0.002	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0046	0.005	0.005
Loa Loa (eye worm)	hypothetical protein	0.0046	0.005	0.005
Brugia malayi	Thrombospondin type 1 domain containing protein	0.0046	0.005	0.005
Loa Loa (eye worm)	hypothetical protein	0.005	0.0067	0.0067
Plasmodium vivax	thrombospondin-related anonymous protein	0.0046	0.005	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.005	0.005
Echinococcus granulosus	titin	0.0046	0.005	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0046	0.005	0.005
Toxoplasma gondii	microneme protein MIC14	0.0046	0.005	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0059	0.0059
Brugia malayi	Thrombospondin type 1 domain containing protein	0.0046	0.005	0.005
Loa Loa (eye worm)	thrombospondin type 1 domain-containing protein	0.0046	0.005	0.005
Loa Loa (eye worm)	angiogenesis inhibito	0.0359	0.1426	0.1426
Onchocerca volvulus		0.0046	0.005	0.0163
Brugia malayi	Reprolysin	0.0312	0.1222	0.1222
Schistosoma mansoni	properdin	0.0046	0.005	0.0122
Plasmodium vivax	hypothetical protein, conserved	0.0046	0.005	1
Plasmodium vivax	thrombospondin-related apical membrane protein, putative	0.0046	0.005	1
Echinococcus granulosus	geminin	0.0164	0.057	0.1395
Echinococcus granulosus	Protein patched homolog 1	0.0041	0.0027	0.0065
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0059	0.0059
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0027	1
Brugia malayi	Thrombospondin type 1 domain containing protein	0.0046	0.005	0.005
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0059	0.0059
Plasmodium falciparum	thrombospondin-related anonymous protein	0.0046	0.005	0.5
Brugia malayi	Niemann-Pick C1 protein precursor	0.0095	0.0267	0.0267
Plasmodium falciparum	thrombospondin-related sporozoite protein	0.0046	0.005	0.5
Echinococcus multilocularis	sterol regulatory element binding protein	0.0041	0.0027	0.0065
Echinococcus multilocularis	RPE spondin	0.0046	0.005	0.0122
Schistosoma mansoni	eyes absent homolog	0.0088	0.0233	0.0571
Schistosoma mansoni	semaphorin 5-related	0.0046	0.005	0.0122
Schistosoma mansoni	patched 1	0.0041	0.0027	0.0065
Brugia malayi	hypothetical protein	0.0661	0.2757	0.2757
Mycobacterium leprae	conserved hypothetical protein	0.0035	0	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0235	0.0881	0.0881
Brugia malayi	ADAMTS-like protease	0.0707	0.2961	0.2961
Onchocerca volvulus	Properdin homolog	0.0046	0.005	0.0163
Loa Loa (eye worm)	hypothetical protein	0.0046	0.005	0.005
Schistosoma mansoni	hypothetical protein	0.0039	0.002	0.0049
Echinococcus multilocularis	geminin	0.0164	0.057	0.1395
Echinococcus multilocularis	connective tissue growth factor	0.0046	0.005	0.0122
Echinococcus granulosus	adamTS protein 3	0.0046	0.005	0.0122
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0041	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0046	0.005	0.005
Schistosoma mansoni	titin	0.0046	0.005	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0233	0.0233
Plasmodium vivax	unspecified product	0.0046	0.005	1
Brugia malayi	zinc metalloproteinase toh-2 precursor	0.0046	0.005	0.005
Plasmodium falciparum	circumsporozoite (CS) protein	0.0046	0.005	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0	0.5
Echinococcus granulosus	Niemann Pick C1 protein	0.0095	0.0267	0.0653
Loa Loa (eye worm)	MH2 domain-containing protein	0.0235	0.0881	0.0881
Loa Loa (eye worm)	SPON-1 protein	0.0046	0.005	0.005
Echinococcus granulosus	adam	0.0661	0.2757	0.6745
Echinococcus multilocularis	a disintegrin and metalloproteinase with	0.0963	0.4087	1
Plasmodium falciparum	TRAP-like protein	0.0046	0.005	0.5
Brugia malayi	Thrombospondin type 1 domain containing protein	0.0046	0.005	0.005
Loa Loa (eye worm)	hypothetical protein	0.0046	0.005	0.005
Schistosoma mansoni	hypothetical protein	0.0039	0.002	0.0049
Plasmodium falciparum	thrombospondin-related apical membrane protein	0.0046	0.005	0.5
Brugia malayi	Thrombospondin type 1 domain containing protein	0.0046	0.005	0.005
Echinococcus granulosus	Niemann Pick C1 protein	0.0136	0.0447	0.1094
Schistosoma mansoni	hypothetical protein	0.0046	0.005	0.0122
Echinococcus multilocularis	titin	0.0046	0.005	0.0122

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 844465