TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 268.314 | Formula: C15H16N4O
H donors: 2 H acceptors: 2 LogP: 2.71 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1c1c(C)[nH]c2c1c(C)nc(n2)N
InChi: 1S/C15H16N4O/c1-8-12(10-6-4-5-7-11(10)20-3)13-9(2)18-15(16)19-14(13)17-8/h4-7H,1-3H3,(H3,16,17,18,19)
InChiKey: IQBFKAMXVIDDGH-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	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0023	0.0102	0.0165
Trichomonas vaginalis	esterase, putative	0.0131	0.0847	0.147
Trichomonas vaginalis	penicillin-binding protein, putative	0.0131	0.0847	0.147
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0131	0.0847	0.1611
Brugia malayi	PXA domain containing protein	0.0023	0.0102	0.0165
Trichomonas vaginalis	D-aminoacylase, putative	0.0131	0.0847	0.147
Schistosoma mansoni	z-protein (S1r protein)	0.0023	0.0102	0.0165
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0023	0.0102	0.0165
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0131	0.0847	0.1611
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0023	0.0102	0.0198
Brugia malayi	PXA domain containing protein	0.0023	0.0102	0.0165
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0019	0.0074	0.0111
Entamoeba histolytica	hypothetical protein	0.0023	0.0102	0.0165
Echinococcus granulosus	axis inhibition protein axin	0.0023	0.0102	0.0131
Schistosoma mansoni	regulator of G protein signaling	0.0023	0.0102	0.0165
Mycobacterium tuberculosis	Conserved hypothetical membrane protein	0.033	0.2223	0.1503
Echinococcus multilocularis	regulator of G protein signaling 7	0.0023	0.0102	0.0165
Echinococcus granulosus	expressed protein	0.0457	0.3101	0.4749
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0102	0.0198
Echinococcus granulosus	regulator of G protein signaling 7	0.0023	0.0102	0.0131
Echinococcus granulosus	microtubule associated protein 2	0.0396	0.2678	0.4098
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0019	0.0074	0.0111
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0019	0.0074	0.0111
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0023	0.0102	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0847	0.1639
Echinococcus granulosus	beta LACTamase domain containing family member	0.0131	0.0847	0.1278
Brugia malayi	regulator of G-protein signaling egl-10	0.0023	0.0102	0.0165
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0131	0.0847	0.1611
Mycobacterium ulcerans	hypothetical protein	0.033	0.2223	0.1503
Echinococcus multilocularis	regulator of G protein signaling 3	0.0023	0.0102	0.0165
Toxoplasma gondii	ABC1 family protein	0.0131	0.0847	0.1611
Loa Loa (eye worm)	PXA domain-containing protein	0.0023	0.0102	0.0198
Trichomonas vaginalis	protein-S isoprenylcysteine O-methyltransferase, putative	0.0756	0.517	1
Onchocerca volvulus		0.0154	0.1006	1
Schistosoma mansoni	axis inhibition protein axin	0.0023	0.0102	0.0165
Entamoeba histolytica	hypothetical protein	0.0023	0.0102	0.0165
Entamoeba histolytica	prenyl cysteine carboxyl methyltransferase, putative	0.0756	0.517	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0131	0.0847	0.1611
Brugia malayi	hypothetical protein	0.0023	0.0102	0.0165
Trypanosoma cruzi	prenyl protein specific carboxyl methyltransferase, putative	0.0756	0.517	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0131	0.0847	0.147
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0019	0.0074	0.0111
Echinococcus multilocularis	expressed protein	0.0457	0.3101	0.5984
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0847	0.1639
Schistosoma mansoni	serine/threonine protein kinase	0.0023	0.0102	0.0165
Echinococcus granulosus	regulator of G protein signaling 3	0.0023	0.0102	0.0131
Giardia lamblia	MRP-like ABC transporter	0.0011	0.0017	0.0001
Trichomonas vaginalis	protein-S isoprenylcysteine O-methyltransferase, putative	0.0756	0.517	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0017	0.0033
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0838	0.5737	0.5342
Mycobacterium leprae	PROBABLE CONSERVED LIPOPROTEIN LPQF	0.0698	0.4769	1
Echinococcus granulosus	Solute carrier family 22 5	0.0949	0.651	1
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0023	0.0102	0.0165
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0011	0.0017	0.0033
Mycobacterium ulcerans	class a beta-lactamase, BlaC	0.1454	1	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0102	0.0198
Schistosoma mansoni	regulator of G protein signaling	0.0023	0.0102	0.0165
Trypanosoma brucei	prenyl protein specific carboxyl methyltransferase	0.0756	0.517	1
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0847	0.1639
Schistosoma mansoni	microtubule-associated protein tau	0.0396	0.2678	0.5164
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0102	0.0198
Loa Loa (eye worm)	RGS-3 protein	0.0023	0.0102	0.0198
Schistosoma mansoni	regulator of G protein signaling	0.0023	0.0102	0.0165
Onchocerca volvulus		0.0131	0.0847	0.8299
Echinococcus granulosus	regulator of G protein signaling 3	0.0023	0.0102	0.0131
Trypanosoma cruzi	prenyl protein specific carboxyl methyltransferase, putative	0.0756	0.517	1
Echinococcus multilocularis	axis inhibition protein axin	0.0023	0.0102	0.0165
Onchocerca volvulus		0.0131	0.0847	0.8299
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0074	0.0144
Schistosoma mansoni	regulator of G protein signaling	0.0023	0.0102	0.0165
Trichomonas vaginalis	penicillin-binding protein, putative	0.0131	0.0847	0.147
Echinococcus multilocularis	regulator of G protein signaling 7	0.0023	0.0102	0.0165
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0023	0.0102	0.0131
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0019	0.0074	0.0111
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0023	0.0102	0.0198
Brugia malayi	regulator of G-protein signaling rgs-7	0.0023	0.0102	0.0165
Giardia lamblia	Multidrug resistance-associated protein 1	0.0011	0.0017	0.0001
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0019	0.0069	0.008
Loa Loa (eye worm)	protein-S isoprenylcysteine O-methyltransferase	0.0756	0.517	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0102	0.0198
Schistosoma mansoni	axis inhibition protein axin	0.0023	0.0102	0.0165
Schistosoma mansoni	protein-s-isoprenylcysteine o-methyltransferase	0.0756	0.517	1
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0023	0.0102	0.0165
Echinococcus multilocularis		0.0756	0.517	1
Brugia malayi	A-kinase anchor protein 10, precursor	0.0023	0.0102	0.0165
Entamoeba histolytica	hypothetical protein	0.0023	0.0102	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0847	0.1639
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0023	0.0102	0.0165
Trypanosoma cruzi	hypothetical protein, conserved	0.0131	0.0847	0.1611
Echinococcus multilocularis	regulator of G protein signaling	0.0023	0.0102	0.0165
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0023	0.0102	0.0198
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0023	0.0102	0.0165
Brugia malayi	beta-lactamase	0.0131	0.0847	0.1611
Loa Loa (eye worm)	beta-lactamase	0.0131	0.0847	0.1639
Toxoplasma gondii	isoprenylcysteine carboxyl methyltransferase (icmt) family protein	0.0756	0.517	1
Giardia lamblia	ABC transporter, putative	0.0011	0.0017	0.0001
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0135	0.0876	0.1695
Brugia malayi	Pre-SET motif family protein	0.0135	0.0876	0.1667
Trichomonas vaginalis	protein-S isoprenylcysteine O-methyltransferase, putative	0.0756	0.517	1
Mycobacterium ulcerans	lipoprotein LpqF	0.0698	0.4769	0.4285
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0019	0.0074	0.0111
Trypanosoma brucei	hypothetical protein, conserved	0.0131	0.0847	0.1611
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0847	0.1639
Echinococcus granulosus	Regulator of G protein signaling 20	0.0023	0.0102	0.0131
Brugia malayi	beta-lactamase family protein	0.0131	0.0847	0.1611
Echinococcus granulosus	protein S isoprenylcysteine O methyltransferase	0.0756	0.517	0.7936
Echinococcus multilocularis	regulator of G protein signaling 3	0.0023	0.0102	0.0165
Echinococcus granulosus	regulator of G protein signaling 7	0.0023	0.0102	0.0131
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqF	0.0698	0.4769	0.4285
Brugia malayi	Pre-SET motif family protein	0.0019	0.0074	0.0111
Entamoeba histolytica	prenyl cysteine carboxyl methyltransferase, putative	0.0756	0.517	1
Schistosoma mansoni	regulator of G protein signaling	0.0023	0.0102	0.0165
Onchocerca volvulus		0.0131	0.0847	0.8299
Plasmodium vivax	protein-S-isoprenylcysteine O-methyltransferase, putative	0.0756	0.517	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0019	0.0074	0.0088
Brugia malayi	protein-S isoprenylcysteine O-methyltransferase, putative	0.0756	0.517	1
Schistosoma mansoni	serine/threonine protein kinase	0.0023	0.0102	0.0165
Plasmodium falciparum	protein-S-isoprenylcysteine O-methyltransferase, putative	0.0756	0.517	0.5
Brugia malayi	beta-lactamase family protein	0.0131	0.0847	0.1611
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0019	0.0074	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0017	0.0032
Leishmania major	hypothetical protein, conserved	0.0131	0.0847	0.1611
Trichomonas vaginalis	set domain proteins, putative	0.0154	0.1006	0.1783
Trypanosoma brucei	beta lactamase	0.0698	0.4769	0.9221
Echinococcus granulosus	axis inhibition protein axin	0.0023	0.0102	0.0131
Giardia lamblia	Isoprenylcysteine carboxyl methyltransferase	0.0756	0.517	1
Echinococcus multilocularis	axis inhibition protein axin	0.0023	0.0102	0.0165
Brugia malayi	hypothetical protein	0.0023	0.0102	0.0165
Plasmodium vivax	hypothetical protein, conserved	0.0131	0.0847	0.1517
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0023	0.0102	0.0165
Echinococcus multilocularis	microtubule associated protein 2	0.0396	0.2678	0.5164
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0131	0.0847	0.1639
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0023	0.0102	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0847	0.1639
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0102	0.0198
Leishmania major	prenyl protein specific carboxyl methyltransferase, putative	0.0756	0.517	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0011	0.0017	0.0001
Trichomonas vaginalis	D-aminoacylase, putative	0.0131	0.0847	0.147
Schistosoma mansoni	serine/threonine protein kinase	0.0023	0.0102	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0017	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0102	0.0198
Trypanosoma cruzi	hypothetical protein, conserved	0.0131	0.0847	0.1611
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0023	0.0102	0.0165

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: CHEMBL3546328

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 2072585