TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 198.264 | Formula: C13H14N2
H donors: 0 H acceptors: 0 LogP: 0.96 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: C1N=C2N(C1)C1C(C2)c2c(C1)cccc2
InChi: 1S/C13H14N2/c1-2-4-10-9(3-1)7-12-11(10)8-13-14-5-6-15(12)13/h1-4,11-12H,5-8H2
InChiKey: PJJWETOUTBJQJZ-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

Species	Target name	Source	Bibliographic reference
Oryctolagus cuniculus	Indolethylamine N-methyltransferase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132055	All targets in OG5_132055
Loa Loa (eye worm)	NNMT/PNMT/TEMT family protein	Get druggable targets OG5_132055	All targets in OG5_132055
Brugia malayi	NNMT/PNMT/TEMT family protein	Get druggable targets OG5_132055	All targets in OG5_132055
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132055	All targets in OG5_132055

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trichomonas vaginalis	conserved hypothetical protein	Indolethylamine N-methyltransferase	263 aa	214 aa	22.0 %
Onchocerca volvulus	Putative Werner syndrome ATP-dependent helicase homolog 1	Indolethylamine N-methyltransferase	263 aa	233 aa	24.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0067	0.0081
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.007	0.0441	0.0536
Brugia malayi	RNA recognition motif domain containing protein	0.007	0.0441	0.0536
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0341	0.3567	0.4334
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0441	0.1237
Brugia malayi	TAR-binding protein	0.007	0.0441	0.0536
Schistosoma mansoni	hypothetical protein	0.0038	0.0067	0.0188
Schistosoma mansoni	hypothetical protein	0.0188	0.1798	0.504
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0	0.5
Brugia malayi	RNA binding protein	0.007	0.0441	0.0536
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.0269	0.0326
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.0269	0.0326
Echinococcus multilocularis	geminin	0.0188	0.1798	0.1798
Loa Loa (eye worm)	RNA binding protein	0.007	0.0441	0.0536
Plasmodium vivax	importin-beta 2, putative	0.0032	0	0.5
Echinococcus granulosus	snurportin 1	0.0341	0.3567	1
Echinococcus granulosus	geminin	0.0188	0.1798	0.504
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0441	0.1237
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0	0.5
Echinococcus multilocularis	tar DNA binding protein	0.007	0.0441	0.0441
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0067	0.0081
Loa Loa (eye worm)	NNMT/PNMT/TEMT family protein	0.0746	0.8231	1
Plasmodium falciparum	importin beta, putative	0.0032	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0746	0.8231	1
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0441	0.1237
Toxoplasma gondii	HEAT repeat-containing protein	0.0032	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0441	0.1237
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.0269	0.0326
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0441	0.1237
Echinococcus multilocularis	snurportin 1	0.0341	0.3567	0.3567
Loa Loa (eye worm)	hypothetical protein	0.0746	0.8231	1
Brugia malayi	NNMT/PNMT/TEMT family protein	0.0746	0.8231	1
Schistosoma mansoni	hypothetical protein	0.0341	0.3567	1
Brugia malayi	RNA, U transporter 1	0.0091	0.068	0.0826
Echinococcus granulosus	tar DNA binding protein	0.007	0.0441	0.1237
Schistosoma mansoni	hypothetical protein	0.0188	0.1798	0.504
Loa Loa (eye worm)	TAR-binding protein	0.007	0.0441	0.0536
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0269	0.0326

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 16.4 uM	Inhibition of New Zealand white rabbit lung INMT using N-methyltryptamine as substrate after 60 to 90 mins by liquid scintillation counting in presence of S-methyl-[14C]adenosylmethionine	ChEMBL.	423205

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: CHEMBL3228341

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 1861380