TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 436.507 | Formula: C23H28N6O3
H donors: 1 H acceptors: 4 LogP: 1.34 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1cc(ccc1OC)CN1CCc2n(CC1)c(nn2)CNC(=O)c1ccccn1
InChi: 1S/C23H28N6O3/c1-3-32-20-14-17(7-8-19(20)31-2)16-28-11-9-21-26-27-22(29(21)13-12-28)15-25-23(30)18-6-4-5-10-24-18/h4-8,10,14H,3,9,11-13,15-16H2,1-2H3,(H,25,30)
InChiKey: HAAMMFKGEBUBJU-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 granulosus	jumonji domain containing protein	0.0042	0.0362	0.074
Loa Loa (eye worm)	hypothetical protein	0.006	0.0584	0.0616
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0137	0.0142
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0108	0.011
Trypanosoma brucei	unspecified product	0.0027	0.0187	0.281
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0021	0.0108	0.179
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.0337	0.511
Brugia malayi	Importin beta-1 subunit	0.0028	0.0199	0.0211
Leishmania major	GTP-binding protein, putative	0.0021	0.0108	0.1595
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0337	0.511
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0337	0.511
Trichomonas vaginalis	glucosylceramidase, putative	0.0514	0.6138	0.6468
Entamoeba histolytica	hypothetical protein	0.0023	0.0134	0.1127
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0066	0.0036
Trichomonas vaginalis	DNA polymerase eta, putative	0.004	0.0337	0.0246
Brugia malayi	Pre-SET motif family protein	0.006	0.0584	0.062
Treponema pallidum	hypothetical protein	0.0279	0.3267	0.5
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.004	0.0337	0.0953
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.0337	0.511
Brugia malayi	PHD-finger family protein	0.003	0.0219	0.0232
Onchocerca volvulus	Glucosylceramidase homolog	0.0514	0.6138	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0337	0.511
Echinococcus granulosus	snurportin 1	0.0301	0.3536	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0514	0.6138	0.6468
Plasmodium vivax	hypothetical protein, conserved	0.003	0.0219	0.0659
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0137	0.1298
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0108	0.1595
Giardia lamblia	DINP protein human, muc B family	0.004	0.0337	1
Schistosoma mansoni	jumonji domain containing protein	0.0078	0.0803	0.2271
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0137	0.0146
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0337	0.511
Leishmania major	DNA polymerase eta, putative	0.0038	0.0323	0.489
Plasmodium falciparum	phd finger protein, putative	0.003	0.0219	0.0659
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0098	0.1049	0.2745
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0199	0.0266
Leishmania major	DNA polymerase kappa, putative	0.004	0.0337	0.511
Trypanosoma brucei	DNA polymerase kappa, putative	0.0027	0.0187	0.281
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.004	0.0337	0.088
Trypanosoma brucei	DNA polymerase kappa, putative	0.0027	0.0187	0.281
Mycobacterium ulcerans	bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein	0.0279	0.3267	1
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0134	0.1991
Mycobacterium tuberculosis	Conserved hypothetical protein	0.004	0.0337	0.088
Echinococcus granulosus	histone lysine methyltransferase setb	0.006	0.0584	0.1391
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0108	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0066	0.0066
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0038	0.0323	0.5489
Brugia malayi	jmjC domain containing protein	0.0036	0.0295	0.0313
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0137	0.041
Loa Loa (eye worm)	PHD-finger family protein	0.003	0.0219	0.0228
Trichomonas vaginalis	glucosylceramidase, putative	0.0514	0.6138	0.6468
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.004	0.0337	0.0232
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0337	0.511
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0137	0.2051
Trypanosoma brucei	DNA polymerase kappa, putative	0.0027	0.0187	0.281
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0337	0.511
Mycobacterium ulcerans	DNA polymerase IV	0.004	0.0337	0.1021
Brugia malayi	RNA, U transporter 1	0.008	0.0835	0.0885
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0401	0.0425
Schistosoma mansoni	ran	0.0021	0.0108	0.0305
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0199	0.0598
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0199	0.0092
Brugia malayi	ImpB/MucB/SamB family protein	0.004	0.0337	0.0357
Schistosoma mansoni	hypothetical protein	0.0175	0.1991	0.5632
Trypanosoma brucei	unspecified product	0.0027	0.0187	0.281
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.004	0.0337	0.511
Plasmodium vivax	SET domain protein, putative	0.006	0.0584	0.1779
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0401	0.0856
Leishmania major	DNA polymerase eta, putative	0.0066	0.0656	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0066	0.019
Schistosoma mansoni	terminal deoxycytidyl transferase	0.004	0.0337	0.0953
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0784	0.9431	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0514	0.6138	0.6468
Echinococcus granulosus	dna polymerase kappa	0.004	0.0337	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0066	0.0066
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0108	0.1595
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.006	0.0584	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0199	0.2992
Loa Loa (eye worm)	jmjC domain-containing protein	0.0062	0.0607	0.064
Trypanosoma cruzi	DNA polymerase eta, putative	0.0038	0.0323	0.489
Trichomonas vaginalis	glucosylceramidase, putative	0.0514	0.6138	0.6468
Schistosoma mansoni	hypothetical protein	0.003	0.0219	0.0619
Schistosoma mansoni	DNA polymerase IV / kappa	0.0012	0.0004	0.0011
Plasmodium falciparum	nicotinamide/nicotinic acid mononucleotide adenylyltransferase	0.0279	0.3267	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0134	0.0028
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.0066	0.019
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.0337	0.511
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.006	0.0584	0.1653
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0199	0.3358
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0401	0.0421
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0134	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0199	0.0207
Echinococcus multilocularis	peregrin	0.003	0.0219	0.0112
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0401	0.0296
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.004	0.0337	0.0668
Plasmodium falciparum	importin beta, putative	0.0028	0.0199	0.0598
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0021	0.0108	0.1595
Mycobacterium ulcerans	DNA polymerase IV	0.004	0.0337	0.1021
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.0337	0.511
Brugia malayi	jmjC domain containing protein	0.0098	0.1049	0.1112
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0137	0.0146
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0137	0.1298
Brugia malayi	ImpB/MucB/SamB family protein	0.0066	0.0656	0.0695
Echinococcus multilocularis	jumonji domain containing protein	0.0042	0.0362	0.0257
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.0108	0.0319
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0066	0.0066
Entamoeba histolytica	deoxycytidyl transferase, putative	0.004	0.0337	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0036	0.0295	0.0548
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0337	0.511
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0295	0.0836
Mycobacterium leprae	PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC	0.0279	0.3267	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0137	0.1298
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0219	0.3701
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.0337	0.511
Echinococcus granulosus	geminin	0.0175	0.1991	0.5495
Onchocerca volvulus	Alhambra homolog	0.003	0.0219	0.0135
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0137	0.041
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0401	0.1134
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0337	0.511
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0066	0.0066
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.003	0.0219	0.0619
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0401	0.0856
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0219	0.3701
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.006	0.0584	0.1653
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0479	0.0504
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.006	0.0584	0.0482
Trichomonas vaginalis	glucosylceramidase, putative	0.0784	0.9431	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0219	0.0228
Echinococcus granulosus	peregrin	0.003	0.0219	0.0324
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0199	0.2992
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0137	0.0142
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0137	0.041
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0137	0.0259
Trichomonas vaginalis	glucosylceramidase, putative	0.0784	0.9431	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.006	0.0584	0.1653
Brugia malayi	Pre-SET motif family protein	0.0417	0.4947	0.5245
Schistosoma mansoni	importin beta-1	0.0028	0.0199	0.0562
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0656	0.0691
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0417	0.4947	0.5244
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0098	0.1049	0.0951
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0401	0.1134
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0401	0.0296
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0137	0.0259
Schistosoma mansoni	DNA polymerase eta	0.0066	0.0656	0.1854
Trichomonas vaginalis	set domain proteins, putative	0.0474	0.5651	0.5945
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0137	0.041
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0401	0.1134
Echinococcus multilocularis	snurportin 1	0.0301	0.3536	0.3465
Trypanosoma cruzi	DNA polymerase eta, putative	0.0066	0.0656	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0542	0.6476	0.6831
Mycobacterium tuberculosis	Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic	0.0279	0.3267	1
Echinococcus granulosus	PHD finger protein rhinoceros	0.003	0.0219	0.0324
Brugia malayi	polk-prov protein	0.0012	0.0004	0.0004
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0137	0.0146
Trichomonas vaginalis	glucosylceramidase, putative	0.0514	0.6138	0.6468
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0137	0.041
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0337	0.511
Onchocerca volvulus		0.0474	0.5651	0.9188
Echinococcus granulosus	dna polymerase eta	0.0066	0.0656	0.1598
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.004	0.0337	0.0353
Giardia lamblia	PHD finger protein 15	0.003	0.0219	0.6452
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0066	0.0066
Schistosoma mansoni	ran	0.0021	0.0108	0.0305
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0295	0.019
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0134	0.0028
Brugia malayi	Bromodomain containing protein	0.003	0.0219	0.0232
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.0108	0.3121
Schistosoma mansoni	hypothetical protein	0.0301	0.3536	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.006	0.0584	0.1653
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0134	0.1991
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0137	0.2051
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0066	0.019
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0066	0.5
Trypanosoma brucei	unspecified product	0.004	0.0337	0.511
Trichomonas vaginalis	glucosylceramidase, putative	0.0542	0.6476	0.6831
Trypanosoma cruzi	DNA polymerase kappa, putative	0.004	0.0337	0.511
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0295	0.0836
Echinococcus multilocularis	PHD finger protein rhinoceros	0.003	0.0219	0.0112
Trichomonas vaginalis	glucosylceramidase, putative	0.0514	0.6138	0.6468
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0137	0.2051
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0137	0.041
Onchocerca volvulus		0.006	0.0584	0.0745
Trichomonas vaginalis	glucosylceramidase, putative	0.0784	0.9431	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0784	0.9431	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0784	0.9431	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0036	0.0295	0.0309
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0137	0.041
Plasmodium vivax	nicotinate-nucleotide adenylyltransferase, putative	0.0279	0.3267	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0137	0.0142
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0337	0.511
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0137	0.041
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.006	0.0584	0.0482
Echinococcus multilocularis	dna polymerase eta	0.0066	0.0656	0.0554
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0784	0.9431	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.004	0.0337	0.0246
Echinococcus multilocularis	geminin	0.0175	0.1991	0.1904
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0301	0.3536	0.3746
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.0337	0.511
Schistosoma mansoni	hypothetical protein	0.0175	0.1991	0.5632
Trypanosoma brucei	DNA polymerase eta, putative	0.0066	0.0656	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0784	0.9431	1
Echinococcus multilocularis	dna polymerase kappa	0.004	0.0337	0.0232
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0058	0.0558	0.1312
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0021	0.0108	0.0319

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 813961