TDR Targets

Basic information

Technical information

TDR Targets ID: 1756638
Name: NCGC00114238-01
MW: 433.503 | Formula: C24H27N5O3
H donors: 0 H acceptors: 2 LogP: 3.19 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCc1nn(CC(=O)N2CCN(CC2)c2cccc(c2C)C)c(=O)c2n1c1ccoc1c2
InChi: 1S/C24H27N5O3/c1-4-22-25-28(24(31)20-14-21-19(29(20)22)8-13-32-21)15-23(30)27-11-9-26(10-12-27)18-7-5-6-16(2)17(18)3/h5-8,13-14H,4,9-12,15H2,1-3H3
InChiKey: KKMRLZFCWSHIMS-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

C887-0310

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	MH2 domain containing protein	0.0244	0.6487	0.6487
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0064	0.1361	0.1361
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.3103	0.3103
Onchocerca volvulus		0.0062	0.1304	0.0792
Treponema pallidum	sodium- and chloride- dependent transporter	0.0367	1	0.5
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0555	0.0555
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0062	0.1304	0.1304
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0062	0.1304	0.1304
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0062	0.1304	0.1304
Loa Loa (eye worm)	RNA binding protein	0.0125	0.3103	0.3103
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0555	0.0555
Schistosoma mansoni	hypothetical protein	0.0064	0.1361	0.1361
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1103	0.1103
Schistosoma mansoni	hypothetical protein	0.0064	0.1361	0.1361
Plasmodium vivax	hypothetical protein, conserved	0.0062	0.1304	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0555	0.0555
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0062	0.1304	0.1304
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0062	0.1304	0.1304
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0555	0.0555
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0203	0.5326	0.5326
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0062	0.1304	0.1304
Plasmodium vivax	amine transporter, putative	0.0062	0.1304	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1103	0.1103
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0555	0.0555
Brugia malayi	RNA binding protein	0.0125	0.3103	0.3103
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1103	0.1103
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.3103	0.3103
Loa Loa (eye worm)	hypothetical protein	0.0062	0.1304	0.1304
Plasmodium falciparum	transporter, putative	0.0062	0.1304	0.5
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0062	0.1304	0.1304
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1361	0.1361
Brugia malayi	Pre-SET motif family protein	0.0036	0.0555	0.0555
Onchocerca volvulus		0.0367	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1103	0.1103
Echinococcus granulosus	sodium and chloride dependent glycine	0.0062	0.1304	0.1304
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0125	0.3103	0.3103
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0367	1	1
Brugia malayi	Latrophilin receptor protein 2	0.0064	0.1361	0.1361
Schistosoma mansoni	sodium/chloride dependent transporter	0.0367	1	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0062	0.1304	0.1304
Echinococcus granulosus	tar DNA binding protein	0.0125	0.3103	0.3103
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0555	0.0555
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0062	0.1304	0.1304
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0062	0.1304	0.1304
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.3103	0.3103
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0062	0.1304	0.1304
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0064	0.1361	0.1361
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0062	0.1304	0.1304
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0062	0.1304	0.1304
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0062	0.1304	0.1304
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0062	0.1304	0.1304
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0062	0.1304	0.1304
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0064	0.1361	0.1361
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0062	0.1304	0.1304
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0062	0.1304	0.1304
Loa Loa (eye worm)	serotonin transporter b	0.0367	1	1
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0367	1	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.1304	0.1304
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0062	0.1304	0.1304
Loa Loa (eye worm)	hypothetical protein	0.0062	0.1304	0.1304
Echinococcus multilocularis	tar DNA binding protein	0.0125	0.3103	0.3103
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0062	0.1304	0.1304
Echinococcus granulosus	sodium and chloride dependent glycine	0.0062	0.1304	0.1304
Loa Loa (eye worm)	hypothetical protein	0.0062	0.1304	0.1304
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1103	0.1103
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.7696	0.5
Brugia malayi	Pre-SET motif family protein	0.0251	0.6704	0.6704
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0062	0.1304	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0555	0.0555
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0203	0.5326	0.5326
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1103	0.1103
Echinococcus multilocularis	GPCR, family 2	0.0064	0.1361	0.1361
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0555	0.0555
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0064	0.1361	0.1361
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.3103	0.3103
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0517	0.0517
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0064	0.1361	0.1361
Onchocerca volvulus		0.0062	0.1304	0.0792
Toxoplasma gondii	hypothetical protein	0.0062	0.1304	1
Toxoplasma gondii	hypothetical protein	0.0062	0.1304	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.1304	0.1304
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0062	0.1304	1
Loa Loa (eye worm)	hypothetical protein	0.0139	0.3491	0.3491
Schistosoma mansoni	hypothetical protein	0.0139	0.3491	0.3491
Echinococcus granulosus	serotonin transporter	0.0367	1	1
Schistosoma mansoni	hypothetical protein	0.0064	0.1361	0.1361
Brugia malayi	RNA recognition motif domain containing protein	0.0125	0.3103	0.3103
Loa Loa (eye worm)	transcription factor SMAD2	0.0244	0.6487	0.6487
Brugia malayi	TAR-binding protein	0.0125	0.3103	0.3103
Loa Loa (eye worm)	hypothetical protein	0.0367	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1103	0.1103
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0062	0.1304	0.1304
Loa Loa (eye worm)	TAR-binding protein	0.0125	0.3103	0.3103
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0062	0.1304	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0244	0.6487	0.6487
Schistosoma mansoni	sodium/chloride dependent transporter	0.0062	0.1304	0.1304
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.6704	0.6704
Loa Loa (eye worm)	hypothetical protein	0.0062	0.1304	0.1304
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1103	0.1103
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0062	0.1304	0.1304
Echinococcus granulosus	GPCR family 2	0.0064	0.1361	0.1361
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0062	0.1304	0.1304
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0062	0.1304	0.1304
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0062	0.1304	0.1304
Brugia malayi	hypothetical protein	0.0062	0.1304	0.1304
Loa Loa (eye worm)	hypothetical protein	0.0367	1	1
Schistosoma mansoni	hypothetical protein	0.0064	0.1361	0.1361
Loa Loa (eye worm)	hypothetical protein	0.0062	0.1304	0.1304
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0064	0.1361	0.1361
Onchocerca volvulus		0.0062	0.1304	0.0792
Echinococcus multilocularis	serotonin transporter	0.0367	1	1
Onchocerca volvulus		0.0286	0.7696	0.756
Loa Loa (eye worm)	norepinephrine transporter	0.0367	1	1
Plasmodium falciparum	amino acid transporter, putative	0.0062	0.1304	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0203	0.5326	0.5326
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1103	0.1103
Loa Loa (eye worm)	hypothetical protein	0.0367	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.3103	0.3103
Loa Loa (eye worm)	hypothetical protein	0.0203	0.5326	0.5326
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0062	0.1304	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0139	0.3491	0.3491

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

ChEMBL: CHEMBL2357576

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1756638