TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 235.324 | Formula: C17H17N
H donors: 1 H acceptors: 0 LogP: 3.18 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cccc2c1C[C@H]1N[C@]2(C)c2c1cccc2
InChi: 1S/C17H17N/c1-11-6-5-9-15-13(11)10-16-12-7-3-4-8-14(12)17(15,2)18-16/h3-9,16,18H,10H2,1-2H3/t16-,17-/m1/s1
InChiKey: GSRJLVZSPVWLFY-IAGOWNOFSA-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

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Glutamate NMDA receptor	Starlite/ChEMBL	References

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
Mycobacterium ulcerans	FAD-linked oxidoreductase	0.0176	0.7425	1
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0024	0.0652	0.0654
Plasmodium falciparum	DNA repair protein RAD2, putative	0.0072	0.2769	0.3685
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0062	0.2347	0.306
Onchocerca volvulus	Fatty acid synthase homolog	0.0044	0.1533	0.1012
Echinococcus multilocularis	GPCR, family 2	0.0016	0.025	0.012
Brugia malayi	TAR-binding protein	0.0062	0.2347	0.2688
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0062	0.2347	0.267
Trypanosoma brucei	kynurenine 3-monooxygenase, putative	0.0176	0.7425	1
Mycobacterium ulcerans	thioesterase	0.002	0.0469	0.0264
Echinococcus granulosus	nmda type glutamate receptor	0.0032	0.0987	0.1136
Echinococcus multilocularis	exonuclease 1	0.0021	0.0498	0.0462
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1752	0.2007
Mycobacterium ulcerans	thioesterase TesA	0.002	0.0469	0.0264
Schistosoma mansoni	monoxygenase	0.0176	0.7425	1
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0024	0.0652	0.052
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0822	0.0908
Mycobacterium tuberculosis	Possible oxidoreductase	0.0176	0.7425	1
Mycobacterium leprae	possibleputative FAD-linked oxidoreductase	0.0176	0.7425	1
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.002	0.0437	0.022
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2347	0.3162
Echinococcus granulosus	exonuclease 1	0.0021	0.0498	0.0462
Echinococcus granulosus	GPCR family 2	0.0016	0.025	0.012
Brugia malayi	XPG N-terminal domain containing protein	0.0061	0.2271	0.2601
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0037	0.1195	0.1403
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.087	0.0975
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.002	0.0437	0.022
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0026	0.072	0.0748
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein	0.0023	0.0585	0.5
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0062	0.2347	0.3162
Mycobacterium ulcerans	FAD-dependent oxidoreductase	0.0176	0.7425	1
Trichomonas vaginalis	flap endonuclease-1, putative	0.0062	0.2347	0.1947
Schistosoma mansoni	glutamate receptor NMDA	0.0014	0.0162	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0498	0.0506
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.025	0.0286
Plasmodium vivax	DNA repair protein RAD2, putative	0.0072	0.2769	0.3685
Mycobacterium ulcerans	glutamine-binding lipoprotein GlnH	0.0023	0.0585	0.0427
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.002	0.0469	0.0264
Mycobacterium ulcerans	hypothetical protein	0.0176	0.7425	1
Loa Loa (eye worm)	flap endonuclease-1	0.0062	0.2347	0.2639
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0032	0.0987	0.1136
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.087	0.0975
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0026	0.072	0.0748
Schistosoma mansoni	flap endonuclease-1	0.0052	0.1901	0.2561
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.1571	0.1744
Leishmania major	hypothetical protein, conserved	0.0176	0.7425	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1752	0.2007
Mycobacterium tuberculosis	Possible oxidoreductase	0.0176	0.7425	1
Echinococcus multilocularis	ubiquinone biosynthesis monooxygenase COQ6	0.0176	0.7425	1
Brugia malayi	RNA binding protein	0.0062	0.2347	0.2688
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1752	0.1953
Schistosoma mansoni	hypothetical protein	0.0016	0.025	0.0336
Echinococcus granulosus	tar DNA binding protein	0.0062	0.2347	0.3009
Toxoplasma gondii	FAD binding domain-containing protein	0.0176	0.7425	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1057	0.1151
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2347	0.3162
Loa Loa (eye worm)	hypothetical protein	0.0072	0.2769	0.3124
Leishmania major	hypothetical protein, conserved	0.0021	0.0498	0.067
Schistosoma mansoni	hypothetical protein	0.0034	0.1057	0.1423
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.058	0.0664
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1398	0.1544
Trypanosoma brucei	Monooxygenase, putative	0.0176	0.7425	1
Plasmodium falciparum	FAD-dependent monooxygenase, putative	0.0176	0.7425	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1571	0.194
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0024	0.0652	0.0746
Trypanosoma cruzi	Monooxygenase, putative	0.0176	0.7425	1
Brugia malayi	Pre-SET motif family protein	0.0205	0.8732	1
Schistosoma mansoni	hypothetical protein	0.0016	0.025	0.0336
Schistosoma mansoni	exonuclease	0.0021	0.0498	0.067
Toxoplasma gondii	XPG N-terminal domain-containing protein	0.0072	0.2769	0.3636
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0026	0.072	0.0616
Mycobacterium tuberculosis	Probable glutamine-binding lipoprotein GlnH (GLNBP)	0.0023	0.0585	0.0561
Toxoplasma gondii	XPG N-terminal domain-containing protein	0.0021	0.0498	0.0532
Trichomonas vaginalis	flap endonuclease-1, putative	0.0072	0.2769	0.239
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.087	0.0975
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0018	0.0343	0.0227
Mycobacterium leprae	Polyketide synthase Pks13	0.0037	0.1195	0.128
Mycobacterium ulcerans	hypothetical protein	0.0176	0.7425	1
Schistosoma mansoni	hypothetical protein	0.0176	0.7425	1
Schistosoma mansoni	xp-G/rad2 DNA repair endonuclease family member	0.0021	0.0498	0.067
Loa Loa (eye worm)	RNA binding protein	0.0062	0.2347	0.2639
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.002	0.0437	0.022
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0205	0.8732	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0169	0.0127
Echinococcus multilocularis	flap endonuclease GEN 1	0.0021	0.0498	0.0462
Toxoplasma gondii	XPG N-terminal domain-containing protein	0.0021	0.0498	0.0532
Leishmania major	hypothetical protein, conserved	0.0176	0.7425	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.025	0.012
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1571	0.2116
Brugia malayi	Flap endonuclease-1	0.0062	0.2347	0.2688
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1571	0.2116
Echinococcus granulosus	flap endonuclease 1	0.0062	0.2347	0.3009
Mycobacterium tuberculosis	Probable oxidoreductase	0.0176	0.7425	1
Loa Loa (eye worm)	hypothetical protein	0.0176	0.7425	0.8493
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0024	0.0652	0.052
Plasmodium falciparum	exonuclease I, putative	0.0021	0.0498	0.0605
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1571	0.194
Mycobacterium ulcerans	polyketide synthase	0.0024	0.0652	0.052
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.2347	0.2688
Mycobacterium ulcerans	polyketide synthase	0.0026	0.072	0.0616
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0026	0.072	0.0616
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0024	0.0652	0.052
Plasmodium vivax	exonuclease I, putative	0.0021	0.0498	0.0605
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0024	0.0652	0.0654
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0024	0.0652	0.0654
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0062	0.2347	0.267
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.087	0.1172
Entamoeba histolytica	exonuclease, putative	0.0021	0.0498	0.1797
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0026	0.072	0.0616
Mycobacterium ulcerans	oxidoreductase	0.0176	0.7425	1
Toxoplasma gondii	type I fatty acid synthase, putative	0.0026	0.072	0.0835
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2347	0.3162
Echinococcus granulosus	ubiquinone biosynthesis monooxygenase COQ6	0.0176	0.7425	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.1057	0.121
Echinococcus granulosus	DNA repair protein complementing XP G cells	0.0072	0.2769	0.3589
Echinococcus multilocularis	nmda type glutamate receptor	0.0032	0.0987	0.1136
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1571	0.194
Schistosoma mansoni	hypothetical protein	0.0016	0.025	0.0336
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0023	0.058	0.0554
Trichomonas vaginalis	set domain proteins, putative	0.0233	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.2347	0.2639
Mycobacterium ulcerans	oxidoreductase GMC-type	0.0176	0.7425	1
Schistosoma mansoni	hypothetical protein	0.0016	0.025	0.0336
Echinococcus granulosus	flap endonuclease GEN 1	0.0021	0.0498	0.0462
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1571	0.2116
Mycobacterium tuberculosis	Probable thioesterase TesA	0.002	0.0469	0.0401
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1752	0.1953
Entamoeba histolytica	DNA-repair protein, putative	0.0072	0.2769	1
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0046	0.1635	0.1872
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein (hisJ)	0.0023	0.0585	0.5
Echinococcus granulosus	protein MICAL 3	0.0176	0.7425	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.087	0.1041
Echinococcus multilocularis	DNA repair protein complementing XP G cells	0.0072	0.2769	0.3589
Wolbachia endosymbiont of Brugia malayi	2-polyprenyl-6-methoxyphenol 4-hydroxylase	0.0176	0.7425	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0176	0.7425	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.087	0.1172
Mycobacterium tuberculosis	Possible oxidoreductase	0.0176	0.7425	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.025	0.012
Plasmodium vivax	flap endonuclease 1, putative	0.0062	0.2347	0.3114
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0037	0.1195	0.1403
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.1571	0.1799
Plasmodium vivax	hypothetical protein, conserved	0.0176	0.7425	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.087	0.1172
Plasmodium falciparum	flap endonuclease 1	0.0062	0.2347	0.3114
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0024	0.0652	0.052
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0026	0.072	0.0616
Loa Loa (eye worm)	fatty acid synthase	0.0024	0.0637	0.0667
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2347	0.3162
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0023	0.058	0.0601
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.025	0.0286
Brugia malayi	Pre-SET motif family protein	0.0029	0.087	0.0997
Mycobacterium tuberculosis	Probable oxidoreductase	0.0176	0.7425	1
Echinococcus multilocularis	protein MICAL 3	0.0176	0.7425	1
Mycobacterium ulcerans	polyketide synthase Pks13	0.0037	0.1195	0.128
Mycobacterium ulcerans	membrane-associated oxidoreductase	0.0176	0.7425	1
Toxoplasma gondii	FAD binding domain-containing protein	0.0176	0.7425	1
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0026	0.072	0.0616
Toxoplasma gondii	XPG N-terminal domain-containing protein	0.0021	0.0498	0.0532
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.2347	0.3009
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.025	0.012
Plasmodium vivax	SET domain protein, putative	0.0029	0.087	0.1111
Plasmodium vivax	FAD-dependent monooxygenase, putative	0.0176	0.7425	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.025	0.022
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.025	0.012
Entamoeba histolytica	Flap nuclease, putative	0.0062	0.2347	0.8479
Brugia malayi	XPG I-region family protein	0.0021	0.0498	0.057
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.2347	0.2639
Schistosoma mansoni	xp-G/rad2 DNA repair endonuclease family	0.0072	0.2769	0.3729
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0024	0.0652	0.052
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.025	0.022
Loa Loa (eye worm)	hypothetical protein	0.0029	0.087	0.0936
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0016	0.0266	0.0215
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0024	0.0652	0.052
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0024	0.0618	0.0607
Mycobacterium ulcerans	oxidoreductase	0.0176	0.7425	1
Giardia lamblia	Flap structure-specific endonuclease	0.0062	0.2347	1
Onchocerca volvulus		0.0029	0.087	0.0309
Onchocerca volvulus		0.0043	0.1465	0.094
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.087	0.1172
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1571	0.194
Loa Loa (eye worm)	XPG I-region family protein	0.0021	0.0498	0.0506
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.002	0.0452	0.0378
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0024	0.0618	0.0607
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2347	0.3162
Echinococcus multilocularis	flap endonuclease 1	0.0062	0.2347	0.3009
Entamoeba histolytica	exonuclease, putative	0.0021	0.0498	0.1797
Toxoplasma gondii	type I fatty acid synthase, putative	0.0017	0.0335	0.031
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0026	0.072	0.0748
Mycobacterium ulcerans	hypothetical protein	0.0176	0.7425	1
Chlamydia trachomatis	monooxygenase	0.0176	0.7425	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.8 uM	Evaluated for its affinity to bind PCP N-methyl-D-aspartate (NMDA) glutamate receptor in rat brain membrane using [3H]-MK-801 as radioligand	ChEMBL.	1691788
IC50 (binding)	= 0.8 uM	Evaluated for its affinity to bind PCP N-methyl-D-aspartate (NMDA) glutamate receptor in rat brain membrane using [3H]-MK-801 as radioligand	ChEMBL.	1691788

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 31674