TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 457.996 | Formula: C24H32ClN5O2
H donors: 2 H acceptors: 2 LogP: 3.68 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCN(c1ccc(c(c1)O)C=NNC(=O)CN1CCN(CC1)Cc1ccccc1Cl)CC
InChi: 1S/C24H32ClN5O2/c1-3-30(4-2)21-10-9-19(23(31)15-21)16-26-27-24(32)18-29-13-11-28(12-14-29)17-20-7-5-6-8-22(20)25/h5-10,15-16,31H,3-4,11-14,17-18H2,1-2H3,(H,27,32)/b26-16-
InChiKey: LRCPVVBBHXXHMW-QQXSKIMKSA-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
Brugia malayi	Plexin repeat family protein	0.0108	0.372	0.3708
Echinococcus multilocularis	plexin a4	0.0128	0.455	0.4539
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.002	0.5
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0258	1	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.1083	0.1083
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0274	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0274	1
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.002	0.5
Schistosoma mansoni	hypothetical protein	0.0063	0.1828	0.4885
Loa Loa (eye worm)	sema domain-containing protein	0.0045	0.1083	0.1083
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0274	0.5
Onchocerca volvulus		0.0045	0.1083	0.2348
Onchocerca volvulus		0.0053	0.1395	0.3253
Entamoeba histolytica	tyrosin kinase, putative	0.0025	0.0241	0.8715
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.002	0.5
Loa Loa (eye worm)	hypothetical protein	0.002	0.002	0.002
Echinococcus multilocularis	survival motor neuron protein 1	0.0258	1	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0274	0.5
Loa Loa (eye worm)	hypothetical protein	0.002	0.002	0.002
Entamoeba histolytica	acyl-coA synthetase, putative	0.0026	0.0274	1
Brugia malayi	Sema domain containing protein	0.0045	0.1083	0.1066
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0274	1
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.002	0.002	0.5
Schistosoma mansoni	plexin	0.0108	0.372	1
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.002	0.5
Loa Loa (eye worm)	hypothetical protein	0.0045	0.1083	0.1083
Brugia malayi	hypothetical protein	0.0045	0.1083	0.1066
Schistosoma mansoni	plexin	0.0063	0.1828	0.4885
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0274	0.0255
Loa Loa (eye worm)	hypothetical protein	0.002	0.002	0.002
Echinococcus granulosus	plexin a4	0.0128	0.455	0.4539
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0274	0.0255
Brugia malayi	plexin A	0.0128	0.455	0.4539
Schistosoma mansoni	survival motor neuron protein	0.0053	0.1395	0.3717
Loa Loa (eye worm)	sema domain-containing protein	0.0045	0.1083	0.1083
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0274	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0274	0.0274
Schistosoma mansoni	hypothetical protein	0.0045	0.1083	0.2874
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0274	0.0274
Loa Loa (eye worm)	hypothetical protein	0.0045	0.1083	0.1083
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0274	1
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.002	0.5
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.002	0.002	0.5
Echinococcus granulosus	semaphorin 5B	0.0045	0.1083	0.1066
Brugia malayi	hypothetical protein	0.0045	0.1083	0.1066
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0274	0.5
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0274	1
Onchocerca volvulus		0.0108	0.372	1
Schistosoma mansoni	hypothetical protein	0.0045	0.1083	0.2874
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.002	0.002	0.5
Echinococcus multilocularis	semaphorin 5B	0.0045	0.1083	0.1066
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0274	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1828	0.1828
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0274	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.372	0.372
Loa Loa (eye worm)	hypothetical protein	0.0045	0.1083	0.1083
Brugia malayi	Sema domain containing protein	0.0045	0.1083	0.1066
Loa Loa (eye worm)	hypothetical protein	0.0045	0.1083	0.1083
Loa Loa (eye worm)	hypothetical protein	0.002	0.002	0.002
Echinococcus multilocularis	hypothetical protein	0.0045	0.1083	0.1066
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0274	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0	0.5
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.002	0.002	0.5
Schistosoma mansoni	hypothetical protein	0.0053	0.1395	0.3717
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0274	0.0274
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.002	0.002	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0274	1
Loa Loa (eye worm)	plexin A	0.0128	0.455	0.455
Loa Loa (eye worm)	hypothetical protein	0.0045	0.1083	0.1083
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0053	0.1395	0.1378
Entamoeba histolytica	protein kinase domain containing protein	0.0025	0.0241	0.8715
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0	0.5
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0274	1
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.002	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.002	0.5
Echinococcus granulosus	survival motor neuron protein 1	0.0258	1	1
Schistosoma mansoni	semaphorin 5-related	0.0045	0.1083	0.2874
Echinococcus granulosus	semaphorin 1A	0.0045	0.1083	0.1066
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0274	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0274	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0274	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0274	0.0255

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 865886