TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 291.347 | Formula: C18H17N3O
H donors: 2 H acceptors: 2 LogP: 3.79 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cc2n(n1)C(Nc1c2cccc1C)c1ccccc1O
InChi: 1S/C18H17N3O/c1-11-6-5-8-13-15-10-12(2)20-21(15)18(19-17(11)13)14-7-3-4-9-16(14)22/h3-10,18-19,22H,1-2H3
InChiKey: ZICJSBUHJSPKGH-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
Schistosoma mansoni	inositol transporter	0.0038	0.0847	0.0847
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.002	0.0299	0.0288
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.1066	0.1056
Leishmania major	hypothetical protein, conserved	0.0036	0.0778	0.446
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0269	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0136	0.3737	0.373
Schistosoma mansoni	thyroid hormone receptor	0.0136	0.3737	0.3737
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0037	0.0807	1
Brugia malayi	Sodium:solute symporter family protein	0.0038	0.0847	0.0837
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0053	0.1296	0.1286
Trichomonas vaginalis	glucosylceramidase, putative	0.0257	0.7356	1
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0037	0.0807	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0179	0.0168
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0778	0.0767
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0807	0.0796
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0778	0.0814
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.4727	0.6291
Trichomonas vaginalis	DNA helicase recq, putative	0.002	0.0299	0.0042
Schistosoma mansoni	hypothetical protein	0.0034	0.0721	0.0721
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0229	0.652	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0011	0.0134
Entamoeba histolytica	recQ family DNA helicase	0.001	0.0011	0.0141
Echinococcus granulosus	high affinity choline transporter 1	0.0346	1	1
Echinococcus granulosus	sodium:glucose cotransporter 2	0.0038	0.0847	0.0837
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.002	0.0299	0.0288
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.002	0.0299	0.0288
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1066	0.1066
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0012	0.0012
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0778	0.0767
Schistosoma mansoni	sodium/solute symporter	0.0038	0.0847	0.0847
Trichomonas vaginalis	glucosylceramidase, putative	0.0257	0.7356	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.4727	0.6291
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.4727	0.6291
Schistosoma mansoni	ap endonuclease	0.0019	0.0269	0.0269
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0037	0.0807	0.0796
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0778	0.0814
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.002	0.0299	0.353
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0179	0.0168
Echinococcus multilocularis	bloom syndrome protein	0.002	0.0299	0.0288
Echinococcus granulosus	solute carrier family 5	0.0038	0.0847	0.0837
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1066	0.1056
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0721	0.071
Trichomonas vaginalis	glucosylceramidase, putative	0.0178	0.4998	0.6672
Schistosoma mansoni	hypothetical protein	0.0016	0.0179	0.0179
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0778	0.0718
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.002	0.0299	0.0262
Brugia malayi	beta-lactamase family protein	0.0036	0.0778	0.0767
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0269	0.0258
Onchocerca volvulus		0.0036	0.0778	0.1625
Echinococcus granulosus	sodium:glucose cotransporter	0.0038	0.0847	0.0837
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0778	0.0767
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0269	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0778	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0778	0.0767
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0037	0.0807	0.4713
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.002	0.0299	0.0288
Loa Loa (eye worm)	RecQ helicase	0.002	0.0299	0.0288
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0778	0.0767
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0037	0.0807	0.0807
Schistosoma mansoni	DNA helicase recq5	0.002	0.0299	0.0299
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0269	0.3334
Echinococcus multilocularis	sodium coupled monocarboxylate transporter 1	0.0038	0.0847	0.0837
Onchocerca volvulus		0.0038	0.0847	0.1772
Loa Loa (eye worm)	hypothetical protein	0.001	0.0011	0.00000000024214
Echinococcus multilocularis	ubiquitin specific protease 41	0.0037	0.0807	0.0796
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0778	0.9637
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.1188	0.1178
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.002	0.0299	0.0288
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0057	0.141	0.14
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0778	0.446
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0778	0.0814
Schistosoma mansoni	high-affinity choline transporter	0.0346	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1066	0.1056
Trichomonas vaginalis	glucosylceramidase, putative	0.0257	0.7356	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1066	0.1066
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0847	0.0837
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0037	0.0807	0.0759
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0037	0.0807	0.0796
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0778	0.0767
Toxoplasma gondii	transporter, solute:sodium symporter (SSS) family protein	0.0038	0.0847	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1066	0.1056
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0778	0.446
Schistosoma mansoni	hypothetical protein	0.0016	0.0179	0.0179
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0179	0.0168
Brugia malayi	Bloom's syndrome protein homolog	0.002	0.0299	0.0288
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0057	0.141	0.141
Echinococcus granulosus	bloom syndrome protein	0.002	0.0299	0.0288
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.002	0.0299	0.0288
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0778	0.5
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0257	0.7356	0.7353
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0778	0.0814
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.1066	0.1056
Schistosoma mansoni	blooms syndrome DNA helicase	0.001	0.0011	0.0011
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0037	0.0807	1
Echinococcus granulosus	sodium coupled monocarboxylate transporter 1	0.0038	0.0847	0.0837
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0037	0.0807	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0778	0.9637
Echinococcus multilocularis	sodium:myo inositol cotransporter	0.0038	0.0847	0.0837
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0778	0.0814
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.002	0.0299	0.0288
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0778	0.0814
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0778	0.0718
Schistosoma mansoni	hypothetical protein	0.0125	0.3438	0.3438
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0012	0.0012
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0778	0.446
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0012	0.0012
Entamoeba histolytica	recQ family helicase, putative	0.002	0.0299	0.3705
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0778	0.0767
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.1188	0.1178
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0057	0.141	1
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0257	0.7356	0.7353
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.4727	0.6291
Trichomonas vaginalis	glucosylceramidase, putative	0.0257	0.7356	1
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0057	0.141	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0037	0.0807	1
Schistosoma mansoni	inositol transporter	0.0038	0.0847	0.0847
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0778	0.0767
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0778	0.0767
Onchocerca volvulus		0.0036	0.0778	0.1625
Schistosoma mansoni	ap endonuclease	0.0019	0.0269	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0346	1	1
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0037	0.0807	0.0796
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0269	0.3458
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0269	0.3239
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0037	0.0807	0.0807
Giardia lamblia	Sgs1 DNA helicase, putative	0.002	0.0299	0.0557
Loa Loa (eye worm)	hypothetical protein	0.005	0.1188	0.1178
Echinococcus granulosus	GPCR family 2	0.0016	0.0179	0.0168
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0269	0.0258
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0179	0.0168
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.4727	0.6291
Toxoplasma gondii	exonuclease III APE	0.0019	0.0269	0.3176
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0179	0.0168
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0179	0.0168
Schistosoma mansoni	DNA helicase recq1	0.002	0.0299	0.0299
Trichomonas vaginalis	glucosylceramidase, putative	0.0178	0.4998	0.6672
Echinococcus granulosus	sodium:myo inositol cotransporter	0.0038	0.0847	0.0837
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.001	0.0011	0.0146
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1066	0.1056
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0012	0.0012
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.002	0.0299	0.353
Trichomonas vaginalis	glucosylceramidase, putative	0.0257	0.7356	1
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0807	0.0759
Echinococcus granulosus	ubiquitin specific protease 41	0.0037	0.0807	0.0796
Schistosoma mansoni	thyroid hormone receptor	0.0136	0.3737	0.3737
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.002	0.0299	0.0288
Onchocerca volvulus	Glucosylceramidase homolog	0.0169	0.4727	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0257	0.7356	1
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0125	0.3438	0.3431
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0037	0.0807	0.0796
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0012	0.0012
Trichomonas vaginalis	DNA helicase recq, putative	0.002	0.0299	0.0042
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0778	0.0718
Schistosoma mansoni	hypothetical protein	0.0016	0.0179	0.0179
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0012	0.0012
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.002	0.0299	0.0557
Trichomonas vaginalis	DNA helicase recq1, putative	0.002	0.0299	0.0042
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0057	0.141	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0778	0.0718
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0778	0.0814
Trichomonas vaginalis	esterase, putative	0.0036	0.0778	0.0718
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0269	0.0258
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0179	0.0168
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.1188	0.1178
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0057	0.141	0.1826
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0778	0.0767
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.002	0.0299	1
Mycobacterium ulcerans	lipase LipD	0.0036	0.0778	0.446
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0778	0.0814
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0012	0.0012
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.4727	0.6291
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0778	0.0778
Toxoplasma gondii	ABC1 family protein	0.0036	0.0778	0.9185
Echinococcus multilocularis	high affinity choline transporter 1	0.0346	1	1
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0012	0.0012
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0057	0.141	0.14
Trichomonas vaginalis	glucosylceramidase, putative	0.0169	0.4727	0.6291
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0778	0.0814
Brugia malayi	beta-lactamase	0.0036	0.0778	0.0767
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0179	0.0168
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0778	0.446
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1066	0.1066
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0778	1
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.002	0.0299	0.3615
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0778	0.0814
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0269	0.3239
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0057	0.141	0.14
Onchocerca volvulus		0.0036	0.0778	0.1625
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0037	0.0807	0.0796
Schistosoma mansoni	hypothetical protein	0.0016	0.0179	0.0179
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0125	0.3438	0.3431
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0179	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0778	0.0767
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0778	0.0778
Brugia malayi	beta-lactamase family protein	0.0036	0.0778	0.0767
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0721	0.071
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0037	0.0807	0.0759
Echinococcus multilocularis	solute carrier family 5	0.0038	0.0847	0.0837
Echinococcus multilocularis	sodium:glucose cotransporter 2	0.0038	0.0847	0.0837
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0778	0.0718
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.002	0.0299	1
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0778	0.5
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0269	0.0258
Schistosoma mansoni	coup transcription factor	0.001	0.0012	0.0012

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 771587