TDR Targets

Basic information

Technical information

TDR Targets ID: 601589
Name: 6-bromo-2-pyridin-3-yl-N-(1,3-thiazol-2-yl)qu inoline-4-carboxamide
MW: 411.275 | Formula: C18H11BrN4OS
H donors: 1 H acceptors: 4 LogP: 3.67 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc2c(c1)c(cc(n2)c1cccnc1)C(=O)Nc1nccs1
InChi: 1S/C18H11BrN4OS/c19-12-3-4-15-13(8-12)14(17(24)23-18-21-6-7-25-18)9-16(22-15)11-2-1-5-20-10-11/h1-10H,(H,21,23,24)
InChiKey: OYWNAGWAVOHNGV-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

6-bromo-2-(3-pyridyl)-N-thiazol-2-yl-quinoline-4-carboxamide
6-bromo-2-(3-pyridyl)-N-(2-thiazolyl)-4-quinolinecarboxamide
6-bromo-2-(3-pyridyl)-N-thiazol-2-yl-cinchoninamide
IVK/4002801

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
Brugia malayi	Nuclear hormone receptor-like 1	0.00570479	0.0033251	0.0299156
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.00570479	0.0033251	0.0634373
Loa Loa (eye worm)	steroid hormone receptor	0.00570479	0.0033251	0.0299156
Brugia malayi	hypothetical protein	0.00620624	0.0046068	0.0414469
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.00570479	0.0033251	0.0299156
Plasmodium vivax	multidomain scavenger receptor, putative	0.00440388	0	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.00570479	0.0033251	0.0634373
Loa Loa (eye worm)	hypothetical protein	0.00570479	0.0033251	0.0299156
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.00570479	0.0033251	0.0299156
Trypanosoma brucei	presenilin-like aspartic peptidase, putative	0.0175084	0.0334951	0.5
Schistosoma mansoni	nuclear hormone receptor	0.00570479	0.0033251	0.0171444
Schistosoma mansoni	steroid hormone receptor ad4bp	0.00570479	0.0033251	0.0171444
Schistosoma mansoni	microsomal glutathione s-transferase	0.00657904	0.00555968	0.028666
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0249108	0.0524155	1
Brugia malayi	nuclear hormone receptor	0.00570479	0.0033251	0.0299156
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.00570479	0.0033251	0.0171444
Trypanosoma cruzi	presenilin-like aspartic peptidase, putative	0.0175084	0.0334951	0.5
Schistosoma mansoni	coup transcription factor	0.00570479	0.0033251	0.0171444
Schistosoma mansoni	membrane associated proteins in eicosanoid and glutathione metabolism family member	0.0195653	0.0387524	0.19981
Loa Loa (eye worm)	presenilin spe-4	0.00620624	0.0046068	0.0414469
Brugia malayi	nuclear receptor NHR-88	0.00570479	0.0033251	0.0299156
Loa Loa (eye worm)	hypothetical protein	0.00570479	0.0033251	0.0299156
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.00570479	0.0033251	0.0299156
Schistosoma mansoni	thyroid hormone receptor	0.00570479	0.0033251	0.0171444
Schistosoma mansoni	lipoxygenase	0.0169838	0.0321542	0.165789
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.00570479	0.0033251	0.0299156
Schistosoma mansoni	serine/threonine protein kinase	0.0478897	0.111149	0.573093
Echinococcus multilocularis	microsomal glutathione S transferase 3	0.00657904	0.00555968	0.106069
Loa Loa (eye worm)	hypothetical protein	0.00570479	0.0033251	0.0299156
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.00570479	0.0033251	0.0171444
Onchocerca volvulus	Bile acid receptor homolog	0.00570479	0.0033251	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.00570479	0.0033251	0.0299156
Plasmodium falciparum	LCCL domain-containing protein	0.00440388	0	0.5
Echinococcus multilocularis	FTZ F1 alpha	0.00570479	0.0033251	0.0634373
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.00570479	0.0033251	0.0299156
Brugia malayi	Presenilin spe-4	0.00620624	0.0046068	0.0414469
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.00570479	0.0033251	0.0299156
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.00570479	0.0033251	0.0171444
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.00570479	0.0033251	0.0634373
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.00570479	0.0033251	0.0634373
Loa Loa (eye worm)	hypothetical protein	0.00570479	0.0033251	0.0299156
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.00570479	0.0033251	0.0634373
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0478897	0.111149	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.00570479	0.0033251	0.0171444
Brugia malayi	Steroid receptor seven-up type 2	0.00570479	0.0033251	0.0299156
Entamoeba histolytica	presenilin 1 peptidase, putative	0.0175084	0.0334951	0.5
Brugia malayi	Presenilin-like protein At2g29900	0.00620624	0.0046068	0.0414469
Loa Loa (eye worm)	hypothetical protein	0.00570479	0.0033251	0.0299156
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0249108	0.0524155	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.00570479	0.0033251	0.0171444
Trypanosoma cruzi	presenilin-like aspartic peptidase, putative	0.0175084	0.0334951	0.5
Brugia malayi	steroid hormone receptor	0.00570479	0.0033251	0.0299156
Loa Loa (eye worm)	hypothetical protein	0.00570479	0.0033251	0.0299156
Schistosoma mansoni	lipoxygenase	0.0249108	0.0524155	0.270257
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0802832	0.193947	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.00570479	0.0033251	1
Brugia malayi	Protein kinase domain containing protein	0.0478897	0.111149	1
Brugia malayi	Presenilin spe-4	0.00620624	0.0046068	0.0414469
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.00570479	0.0033251	0.0299156
Schistosoma mansoni	RAR-like nuclear receptor	0.00570479	0.0033251	0.0171444
Brugia malayi	photoreceptor-specific nuclear receptor	0.00570479	0.0033251	0.0299156
Brugia malayi	ecdysteroid receptor	0.00570479	0.0033251	0.0299156
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.00570479	0.0033251	0.0634373
Echinococcus multilocularis	presenilin	0.0175084	0.0334951	0.63903
Brugia malayi	Presenilin family protein	0.0175084	0.0334951	0.301352
Echinococcus granulosus	FTZ F1 alpha	0.00570479	0.0033251	0.0634373
Echinococcus granulosus	microsomal glutathione S transferase 3	0.00657904	0.00555968	0.106069
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.00570479	0.0033251	0.0171444
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.00570479	0.0033251	0.0299156
Brugia malayi	hypothetical protein	0.00620624	0.0046068	0.0414469
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.00570479	0.0033251	0.0299156
Schistosoma mansoni	retinoic acid receptor RXR	0.00570479	0.0033251	0.0171444
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.00570479	0.0033251	0.0634373
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.00570479	0.0033251	0.0299156
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.00570479	0.0033251	0.0634373
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.00570479	0.0033251	0.0299156
Brugia malayi	Presenilin spe-4	0.00620624	0.0046068	0.0414469
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.00570479	0.0033251	0.0299156
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.00570479	0.0033251	1
Echinococcus granulosus	ecdysone induced protein 78C	0.00570479	0.0033251	0.0634373
Echinococcus multilocularis	ecdysone induced protein 78C	0.00570479	0.0033251	0.0634373
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.00570479	0.0033251	0.0299156
Brugia malayi	hypothetical protein	0.00620624	0.0046068	0.0414469
Schistosoma mansoni	cathepsin D (A01 family)	0.009129	0.0120774	0.0622715
Schistosoma mansoni	cathepsin D (A01 family)	0.009129	0.0120774	0.0622715
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.00570479	0.0033251	0.0634373
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.00570479	0.0033251	0.0299156
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.00570479	0.0033251	0.0634373
Trichomonas vaginalis	conserved hypothetical protein	0.395642	1	1
Loa Loa (eye worm)	hypothetical protein	0.00570479	0.0033251	0.0299156
Toxoplasma gondii	MAPEG family protein	0.00657904	0.00555968	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.00570479	0.0033251	0.0634373
Schistosoma mansoni	subfamily A22A unassigned peptidase (A22 family)	0.0175084	0.0334951	0.172703
Onchocerca volvulus		0.00570479	0.0033251	1
Schistosoma mansoni	thyroid hormone receptor	0.00570479	0.0033251	0.0171444
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.00570479	0.0033251	0.0634373
Leishmania major	presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative	0.0175084	0.0334951	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.00570479	0.0033251	0.0299156
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.00570479	0.0033251	0.0299156
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.00570479	0.0033251	0.0299156
Echinococcus multilocularis	thyroid hormone receptor alpha	0.00570479	0.0033251	0.0634373
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.00570479	0.0033251	0.0634373
Loa Loa (eye worm)	hypothetical protein	0.00570479	0.0033251	0.0299156
Echinococcus granulosus	presenilin	0.0175084	0.0334951	0.63903
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.00570479	0.0033251	0.0299156
Schistosoma mansoni	memapsin-2 (A01 family)	0.0250371	0.0527382	0.271921
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.00570479	0.0033251	0.0299156

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		NOVARTIS: Antimalarial liver stage activity measured as a greater than 50% reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells at 10uM compound concentration, determined by immuno-fluorescence.	ChEMBL.	22096101
CC50 (functional)	> 100 uM	Huh7 cytotoxicity for Pf inhibitors	Novartis-GNF Malaria Box.	No reference
CC50	> 100 uM	NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7)	ChEMBL.	18579783
EC50 (functional)	= 1.081 uM	PF proliferation inhibition 3D7	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	= 1.081 uM	NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay	ChEMBL.	18579783
EC50 (functional)	> 10.43 uM	W2 Pf proliferation inhibition	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	> 10.43 uM	NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay	ChEMBL.	18579783
IFI promiscuity index	= 0	IFI promiscuity index	Novartis-GNF Malaria Box.	No reference
Inhibition (functional)	= -0.8 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= -0.59 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 5 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 7 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 7.77 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 79 %	GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 100 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition frequency index (IFI) (functional)	= 0	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= 5 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 7 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 79 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 100 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.39	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.40302 uM	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth.	ChEMBL.	20485427

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	18579783

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: CHEMBL531135
Search by GSK
Search by Novartis-GNF Malaria Box

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 601589