TDR Targets

Basic information

Technical information

TDR Targets ID: 145955
Name: 2-pyridin-2-yl-6-pyridin-3-yl-4-thiophen-2-yl pyridine
MW: 315.392 | Formula: C19H13N3S
H donors: 0 H acceptors: 3 LogP: 3.41 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cn1)c1cc(cc(n1)c1ccccn1)c1cccs1
InChi: 1S/C19H13N3S/c1-2-9-21-16(6-1)18-12-15(19-7-4-10-23-19)11-17(22-18)14-5-3-8-20-13-14/h1-13H
InChiKey: XMNNNIPMBQDJGK-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

2-(2-pyridyl)-6-(3-pyridyl)-4-(2-thienyl)pyridine
2-pyridin-2-yl-6-pyridin-3-yl-4-thiophen-2-yl-pyridine

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 multilocularis	muscleblind protein 1	0.0159	0.2103	0.3265
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.001	0.0023
Plasmodium vivax	thioredoxin reductase, putative	0.0081	0.0999	0.6947
Brugia malayi	nuclear receptor NHR-88	0.0011	0.001	0.0023
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0112	0.1437	0.122
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0082	0.1014	0.1566
Toxoplasma gondii	ABC1 family protein	0.0112	0.1437	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.001	0.0023
Leishmania major	hypothetical protein, conserved	0.0066	0.0777	0.4459
Trypanosoma cruzi	ISWI complex protein	0.0066	0.0777	0.4459
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.001	0.0023
Brugia malayi	F/Y-rich N-terminus family protein	0.0018	0.0105	0.0236
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0073	0.0884	0.1363
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0112	0.1437	0.345
Mycobacterium tuberculosis	Conserved protein	0.0112	0.1437	0.122
Leishmania major	hypothetical protein, conserved	0.0112	0.1437	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0028	0.0246	0.1707
Treponema pallidum	NADH oxidase	0.0028	0.0246	0.5
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0028	0.0246	0.0556
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0185	0.2473	0.2283
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0028	0.0246	0.1707
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0154	0.2031	0.3151
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.001	0.0016
Trichomonas vaginalis	D-aminoacylase, putative	0.0112	0.1437	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.001	0.0023
Trypanosoma cruzi	ISWI complex protein	0.0066	0.0777	0.4459
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0073	0.0884	0.1376
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0072	0.0866	0.5205
Plasmodium falciparum	thioredoxin reductase	0.0028	0.0246	0.2329
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0028	0.0246	0.0384
Schistosoma mansoni	zinc finger protein	0.0066	0.0777	0.121
Onchocerca volvulus		0.0112	0.1437	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0894	0.2138
Schistosoma mansoni	coup transcription factor	0.0011	0.001	0.0016
Plasmodium vivax	hypothetical protein, conserved	0.0112	0.1437	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0185	0.2473	0.2283
Schistosoma mansoni	hypothetical protein	0.0066	0.0777	0.121
Schistosoma mansoni	cpg binding protein	0.0043	0.0452	0.0703
Echinococcus granulosus	dnaJ subfamily B	0.0464	0.6422	1
Echinococcus granulosus	muscleblind protein	0.0159	0.2103	0.3265
Mycobacterium tuberculosis	Probable oxidoreductase	0.0206	0.2766	0.2583
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.001	0.0016
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0074	0.0894	0.1392
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0112	0.1437	0.122
Loa Loa (eye worm)	hypothetical protein	0.0159	0.2103	0.5063
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.001	0.0016
Brugia malayi	Bromodomain containing protein	0.0164	0.2175	0.4908
Mycobacterium tuberculosis	Conserved protein	0.0112	0.1437	0.122
Mycobacterium ulcerans	lipase LipD	0.0112	0.1437	1
Schistosoma mansoni	zinc finger protein	0.0086	0.1063	0.1656
Schistosoma mansoni	bromodomain containing protein	0.0273	0.3719	0.579
Trypanosoma brucei	hypothetical protein, conserved	0.0112	0.1437	1
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0028	0.0246	0.5
Loa Loa (eye worm)	hypothetical protein	0.0185	0.2465	0.5938
Schistosoma mansoni	myst-related protein	0.0012	0.0018	0.0028
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.001	0.0016
Brugia malayi	Thioredoxin reductase	0.0081	0.0999	0.2254
Leishmania major	trypanothione reductase	0.0081	0.0999	0.6319
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0073	0.0884	0.1376
Trichomonas vaginalis	D-aminoacylase, putative	0.0112	0.1437	1
Schistosoma mansoni	myst-related protein	0.0012	0.0018	0.0028
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.001	0.0016
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0099	0.1244	0.1924
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0073	0.0884	0.1363
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0185	0.2473	0.2283
Loa Loa (eye worm)	hypothetical protein	0.0303	0.4145	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0112	0.1437	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0112	0.1437	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.001	0.0023
Schistosoma mansoni	cpg binding protein	0.0033	0.0309	0.0481
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0206	0.2766	1
Brugia malayi	beta-lactamase family protein	0.0112	0.1437	0.3242
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0028	0.0246	0.5
Schistosoma mansoni	bromodomain containing protein	0.002	0.0134	0.0208
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0028	0.0246	0.2329
Echinococcus multilocularis	cpg binding protein	0.0043	0.0452	0.0689
Echinococcus multilocularis	muscleblind protein	0.0159	0.2103	0.3265
Mycobacterium ulcerans	esterase/lipase LipP	0.0112	0.1437	1
Echinococcus granulosus	fetal alzheimer antigen falz	0.0099	0.1244	0.1924
Schistosoma mansoni	hypothetical protein	0.0088	0.1101	0.1715
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1437	0.345
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0033	0.0309	0.0724
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0185	0.2473	0.2283
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.001	0.0023
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.001	0.0023
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.001	0.0016
Brugia malayi	nuclear hormone receptor	0.0011	0.001	0.0023
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0112	0.1437	0.2237
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.001	0.0023
Brugia malayi	beta-lactamase	0.0112	0.1437	0.3242
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0028	0.0246	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.001	0.0016
Schistosoma mansoni	hypothetical protein	0.0464	0.6422	1
Brugia malayi	ecdysteroid receptor	0.0011	0.001	0.0023
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.001	0.0023
Brugia malayi	beta-lactamase family protein	0.0112	0.1437	0.3242
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.001	0.0023
Plasmodium falciparum	glutathione reductase	0.0081	0.0999	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0074	0.0894	0.1378
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1437	0.345
Trichomonas vaginalis	penicillin-binding protein, putative	0.0112	0.1437	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0112	0.1437	0.122
Plasmodium vivax	glutathione reductase, putative	0.0081	0.0999	0.6947
Loa Loa (eye worm)	beta-lactamase	0.0112	0.1437	0.345
Onchocerca volvulus		0.0112	0.1437	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0081	0.0999	0.6319
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0112	0.1437	0.3242
Echinococcus multilocularis	zinc finger protein	0.0086	0.1063	0.1643
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0081	0.0999	0.0771
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0206	0.2766	0.2583
Brugia malayi	Bromodomain containing protein	0.0323	0.4431	1
Mycobacterium ulcerans	beta-lactamase	0.0112	0.1437	1
Mycobacterium tuberculosis	Probable hydrolase	0.0112	0.1437	0.122
Brugia malayi	CXXC zinc finger family protein	0.0033	0.0309	0.0698
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.001	0.0023
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0011	0.001	0.0069
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0154	0.2031	0.3151
Trypanosoma brucei	trypanothione reductase	0.0081	0.0999	0.6319
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0258	0.3501	0.5445
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0021	0.0141	0.0317
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.001	0.0023
Mycobacterium tuberculosis	Conserved protein	0.0112	0.1437	0.122
Toxoplasma gondii	thioredoxin reductase	0.0081	0.0999	0.6319
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0021	0.0141	0.0317
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0028	0.0246	0.0369
Echinococcus granulosus	histone lysine methyltransferase setb	0.0074	0.0894	0.1378
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.001	0.0023
Echinococcus granulosus	cpg binding protein	0.0043	0.0452	0.0689
Echinococcus granulosus	thioredoxin glutathione reductase	0.0082	0.1014	0.1566
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.001	0.0016
Onchocerca volvulus		0.0112	0.1437	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0069	0.0827	0.1287
Brugia malayi	steroid hormone receptor	0.0011	0.001	0.0023
Trichomonas vaginalis	esterase, putative	0.0112	0.1437	1
Brugia malayi	glutathione reductase	0.0081	0.0999	0.2254
Brugia malayi	PHD-finger family protein	0.0109	0.1387	0.3131
Echinococcus granulosus	beta LACTamase domain containing family member	0.0112	0.1437	0.2225
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0028	0.0246	0.5
Onchocerca volvulus		0.0033	0.0309	0.2152
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1437	0.345
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.001	0.0023
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0112	0.1437	1
Echinococcus granulosus	zinc finger protein	0.0086	0.1063	0.1643
Loa Loa (eye worm)	bromodomain containing protein	0.0076	0.0921	0.2203
Onchocerca volvulus		0.0011	0.001	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0175	0.2323	0.5594
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0258	0.3501	0.5445
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1437	0.345
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.001	0.0016
Loa Loa (eye worm)	thioredoxin reductase	0.0081	0.0999	0.2391
Mycobacterium tuberculosis	Probable lipase LipD	0.0112	0.1437	0.122
Entamoeba histolytica	hypothetical protein	0.0012	0.0018	0.5
Echinococcus multilocularis	dnaJ subfamily B	0.0464	0.6422	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1437	0.345
Plasmodium falciparum	glutathione reductase	0.0028	0.0246	0.2329
Mycobacterium tuberculosis	Probable reductase	0.0185	0.2473	0.2283
Plasmodium falciparum	thioredoxin reductase	0.0081	0.0999	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.001	0.0023
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.001	0.0016
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0028	0.0246	0.2329
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0112	0.1437	0.2225
Loa Loa (eye worm)	hypothetical protein	0.002	0.0134	0.0299
Trypanosoma cruzi	hypothetical protein, conserved	0.0112	0.1437	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0099	0.1244	0.1936
Loa Loa (eye worm)	glutathione reductase	0.0081	0.0999	0.2391
Mycobacterium tuberculosis	Probable dehydrogenase	0.0185	0.2473	0.2283
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.001	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0159	0.2103	0.5063
Brugia malayi	Muscleblind-like protein	0.0159	0.2103	0.4747
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.001	0.0016
Trypanosoma brucei	ISWI complex protein	0.0066	0.0777	0.4459
Mycobacterium ulcerans	hypothetical protein	0.0112	0.1437	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0011	0.001	0.0069
Mycobacterium tuberculosis	Probable esterase LipL	0.0112	0.1437	0.122
Onchocerca volvulus	Bile acid receptor homolog	0.0011	0.001	0.0069
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0185	0.2473	0.7796
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0028	0.0246	0.0369
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0074	0.0894	0.1392
Loa Loa (eye worm)	hypothetical protein	0.0165	0.2179	0.5246
Loa Loa (eye worm)	PHD-finger family protein	0.0088	0.1101	0.2639
Schistosoma mansoni	cpg binding protein	0.0043	0.0452	0.0703
Trypanosoma cruzi	hypothetical protein, conserved	0.0112	0.1437	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0206	0.2766	0.2583
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.001	0.0023
Mycobacterium tuberculosis	Probable lipase LipE	0.0112	0.1437	0.122
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0112	0.1437	0.2237
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1437	0.345

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	= 0.0029 ug ml-1	Antitumor cytotoxic activity of the compound against A-498 cell line was determined	ChEMBL.	11551772
GI50 (functional)	= 0.0029 ug ml-1	Antitumor cytotoxic activity of the compound against A-498 cell line was determined	ChEMBL.	11551772
GI50 (functional)	= 0.031 ug ml-1	Antitumor cytotoxic activity of the compound against PC-3 cell line was determined	ChEMBL.	11551772
GI50 (functional)	= 0.031 ug ml-1	Antitumor cytotoxic activity of the compound against PC-3 cell line was determined	ChEMBL.	11551772
GI50 (functional)	= 0.056 ug ml-1	Antitumor cytotoxic activity of the compound against RPTEC cell line was determined	ChEMBL.	11551772
GI50 (functional)	= 0.056 ug ml-1	Antitumor cytotoxic activity of the compound against RPTEC cell line was determined	ChEMBL.	11551772
GI50 (functional)	= 0.19 ug ml-1	Antitumor cytotoxic activity of the compound against HT-29 cell line was determined	ChEMBL.	11551772
GI50 (functional)	= 0.19 ug ml-1	Antitumor cytotoxic activity of the compound against HT-29 cell line was determined	ChEMBL.	11551772
GI50 (functional)	= 52 ug ml-1	Antitumor cytotoxic activity of the compound against SK-OV-3 cell line was determined	ChEMBL.	11551772
GI50 (functional)	= 52 ug ml-1	Antitumor cytotoxic activity of the compound against SK-OV-3 cell line was determined	ChEMBL.	11551772
GI50 (functional)	= 56.1 ug ml-1	Antitumor cytotoxic activity of the compound against HCT-15 cell line was determined	ChEMBL.	11551772
GI50 (functional)	= 56.1 ug ml-1	Antitumor cytotoxic activity of the compound against HCT-15 cell line was determined	ChEMBL.	11551772
GI50 (functional)	= 77.7 ug ml-1	Antitumor cytotoxic activity of the compound against SK-MEL-2 cell line was determined	ChEMBL.	11551772
GI50 (functional)	= 77.7 ug ml-1	Antitumor cytotoxic activity of the compound against SK-MEL-2 cell line was determined	ChEMBL.	11551772
GI50 (functional)	= 78.9 ug ml-1	Antitumor cytotoxic activity of the compound against A-549 cell line was determined	ChEMBL.	11551772
GI50 (functional)	= 78.9 ug ml-1	Antitumor cytotoxic activity of the compound against A-549 cell line was determined	ChEMBL.	11551772

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

PubChem: 9839886

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 145955