TDR Targets

Basic information

Technical information

TDR Targets ID: 152466
Name: N-(3-methoxyphenyl)-4-thiophen-2-ylpyrimidin- 2-amine
MW: 283.348 | Formula: C15H13N3OS
H donors: 1 H acceptors: 2 LogP: 3.43 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)Nc1nccc(n1)c1cccs1
InChi: 1S/C15H13N3OS/c1-19-12-5-2-4-11(10-12)17-15-16-8-7-13(18-15)14-6-3-9-20-14/h2-10H,1H3,(H,16,17,18)
InChiKey: LEVOCCXBPVCALA-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

N-(3-methoxyphenyl)-4-(2-thienyl)pyrimidin-2-amine
N-(3-methoxyphenyl)-4-(2-thienyl)-2-pyrimidinamine
N-(3-methoxyphenyl)-4-thiophen-2-yl-pyrimidin-2-amine
(3-methoxyphenyl)-[4-(2-thienyl)pyrimidin-2-yl]amine

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
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1276	0.3076
Echinococcus granulosus	nuclear receptor nhr 48	0.0111	0.1276	0.1241
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1276	0.3076
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0236	0.305	0.749
Brugia malayi	Nuclear hormone receptor-like 1	0.0236	0.305	0.749
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0236	0.305	0.749
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1276	0.3076
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0024	0.004	0.5
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1276	0.3076
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0111	0.1276	0.1241
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0236	0.305	0.3023
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0125	0.1466	0.1432
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0236	0.305	0.749
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0236	0.305	0.3023
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0111	0.1276	0.1241
Brugia malayi	hypothetical protein	0.0111	0.1276	0.3076
Schistosoma mansoni	microtubule-associated protein tau	0.0724	1	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0111	0.1276	0.1241
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0236	0.305	0.3023
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0236	0.305	0.3023
Brugia malayi	nuclear hormone receptor	0.0111	0.1276	0.3076
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0111	0.1276	0.3076
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0111	0.1276	0.1241
Loa Loa (eye worm)	steroid hormone receptor	0.0236	0.305	0.749
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0111	0.1276	0.1241
Brugia malayi	ecdysone receptor	0.0111	0.1276	0.3076
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0236	0.305	0.3023
Plasmodium falciparum	nitric oxide synthase, putative	0.0024	0.004	0.5
Loa Loa (eye worm)	hypothetical protein	0.0236	0.305	0.749
Schistosoma mansoni	nuclear hormone receptor	0.0111	0.1276	0.1241
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0111	0.1276	0.3076
Brugia malayi	Nuclear hormone receptor E75	0.0111	0.1276	0.3076
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0236	0.305	0.749
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0024	0.004	0.5
Giardia lamblia	Hypothetical protein	0.0022	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0236	0.305	0.749
Brugia malayi	conserved hypotetical protein	0.0111	0.1276	0.3076
Brugia malayi	hypothetical protein	0.0125	0.1466	0.3549
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1276	0.3076
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0024	0.004	0.5
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0236	0.305	0.3023
Onchocerca volvulus	Bile acid receptor homolog	0.0236	0.305	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0236	0.305	0.749
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1276	0.3076
Loa Loa (eye worm)	hypothetical protein	0.0307	0.4059	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0236	0.305	0.749
Brugia malayi	hypothetical protein	0.0125	0.1466	0.3549
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0236	0.305	0.3023
Trypanosoma cruzi	p450 reductase, putative	0.0024	0.004	0.5
Schistosoma mansoni	retinoic acid receptor RXR	0.0236	0.305	0.3023
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0236	0.305	0.3023
Schistosoma mansoni	RAR-like nuclear receptor	0.0236	0.305	0.3023
Brugia malayi	ecdysteroid receptor	0.0236	0.305	0.749
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0024	0.004	0.5
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1276	0.3076
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0236	0.305	0.749
Brugia malayi	nuclear hormone receptor family member odr-7	0.0111	0.1276	0.3076
Brugia malayi	Nuclear hormone receptor-like 1	0.0125	0.1466	0.3549
Brugia malayi	Muscleblind-like protein	0.0307	0.4059	1
Schistosoma mansoni	nuclear receptor	0.0111	0.1276	0.1241
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0236	0.305	0.749
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0024	0.004	0.5
Brugia malayi	photoreceptor-specific nuclear receptor	0.0236	0.305	0.749
Echinococcus multilocularis	FTZ F1 alpha	0.0236	0.305	0.3023
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0236	0.305	0.3023
Brugia malayi	nuclear receptor RXR	0.0125	0.1466	0.3549
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0236	0.305	0.749
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1466	0.3549
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0111	0.1276	0.1241
Brugia malayi	nuclear receptor NHR-88	0.0236	0.305	0.749
Brugia malayi	tailless protein	0.0111	0.1276	0.3076
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0111	0.1276	0.1241
Schistosoma mansoni	nuclear receptor	0.0111	0.1276	0.1241
Brugia malayi	hypothetical protein	0.0111	0.1276	0.3076
Schistosoma mansoni	coup transcription factor	0.0236	0.305	0.3023
Brugia malayi	nuclear receptor NHR-88	0.0111	0.1276	0.3076
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0111	0.1276	0.1241
Onchocerca volvulus	Protein ultraspiracle homolog	0.0236	0.305	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0236	0.305	0.3023
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0024	0.004	0.5
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0236	0.305	0.3023
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0236	0.305	0.749
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0236	0.305	0.3023
Echinococcus granulosus	muscleblind protein	0.0307	0.4059	0.4036
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1466	0.3549
Echinococcus granulosus	thyroid hormone receptor alpha	0.0111	0.1276	0.1241
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0236	0.305	0.3023
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0024	0.004	0.5
Trichomonas vaginalis	sulfite reductase, putative	0.0024	0.004	1
Schistosoma mansoni	zinc finger protein	0.0111	0.1276	0.1241
Echinococcus multilocularis	muscleblind protein 1	0.0307	0.4059	0.4036
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1466	0.3549
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0236	0.305	0.749
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1466	0.3549
Loa Loa (eye worm)	hypothetical protein	0.0307	0.4059	1
Loa Loa (eye worm)	hypothetical protein	0.0236	0.305	0.749
Echinococcus granulosus	FTZ F1 alpha	0.0236	0.305	0.3023
Loa Loa (eye worm)	hypothetical protein	0.0236	0.305	0.749
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0236	0.305	0.749
Brugia malayi	Steroid receptor seven-up type 2	0.0236	0.305	0.749
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0125	0.1466	0.1432
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1276	0.3076
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0236	0.305	0.749
Onchocerca volvulus		0.0236	0.305	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0111	0.1276	0.1241
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1276	0.3076
Brugia malayi	Nuclear hormone receptor-like 1	0.0125	0.1466	0.3549
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0024	0.004	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0236	0.305	1
Loa Loa (eye worm)	hypothetical protein	0.0236	0.305	0.749
Schistosoma mansoni	nuclear hormone receptor	0.0236	0.305	0.3023
Schistosoma mansoni	nuclear hormone receptor	0.0111	0.1276	0.1241
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0236	0.305	0.3023
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1276	0.3076
Echinococcus multilocularis	ecdysone induced protein 78C	0.0236	0.305	0.3023
Loa Loa (eye worm)	nuclear hormone receptor	0.0111	0.1276	0.3076
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1276	0.3076
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0125	0.1466	0.1432
Brugia malayi	steroid hormone receptor	0.0236	0.305	0.749
Loa Loa (eye worm)	DR-78	0.0111	0.1276	0.3076
Brugia malayi	orphan nuclear receptor NR2E1	0.0111	0.1276	0.3076
Echinococcus multilocularis	nuclear receptor nhr 48	0.0111	0.1276	0.1241
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0236	0.305	0.749
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0111	0.1276	0.3076
Brugia malayi	nuclear receptor RXR	0.0111	0.1276	0.3076
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0236	0.305	0.3023
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0236	0.305	0.749
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0125	0.1466	0.1432
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0111	0.1276	0.1241
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0236	0.305	0.749
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0111	0.1276	0.1241
Loa Loa (eye worm)	hypothetical protein	0.0236	0.305	0.749
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1276	0.3076
Brugia malayi	Nuclear hormone receptor E75	0.0111	0.1276	0.3076
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0236	0.305	0.3023
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0236	0.305	0.3023
Echinococcus multilocularis	microtubule associated protein 2	0.0724	1	1
Giardia lamblia	Nitric oxide synthase, inducible	0.0022	0	0.5
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0024	0.004	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0236	0.305	0.749
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0125	0.1466	0.3549
Loa Loa (eye worm)	hypothetical protein	0.0236	0.305	0.749
Echinococcus multilocularis	muscleblind protein	0.0307	0.4059	0.4036
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0236	0.305	0.3023
Brugia malayi	nuclear hormone receptor	0.0236	0.305	0.749
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0236	0.305	0.749
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0236	0.305	0.3023
Schistosoma mansoni	thyroid hormone receptor	0.0236	0.305	0.3023
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0236	0.305	0.749
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1276	0.3076
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0111	0.1276	0.3076
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1466	0.3549
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0236	0.305	0.3023
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0024	0.004	1
Brugia malayi	nuclear receptor NHR-67	0.0111	0.1276	0.3076
Echinococcus granulosus	ecdysone induced protein 78C	0.0236	0.305	0.3023
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0236	0.305	0.749
Leishmania major	p450 reductase, putative	0.0024	0.004	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0111	0.1276	0.1241
Loa Loa (eye worm)	hypothetical protein	0.0236	0.305	0.749
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0236	0.305	0.3023
Schistosoma mansoni	thyroid hormone receptor	0.0236	0.305	0.3023

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.9 uM	In vitro inhibition of histamine release from human basophils	ChEMBL.	8410986
IC50 (functional)	= 0.9 uM	In vitro inhibition of histamine release from human basophils	ChEMBL.	8410986

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	8410986

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

PubChem: 14347091

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 152466