TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 481.978 | Formula: C24H28ClN7O2
H donors: 2 H acceptors: 3 LogP: 5.02 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCc1nc(N)nc(c1c1ccc(c(c1)/N=N/N(Cc1cccc(c1)C)CCOC(=O)C)Cl)N
InChi: 1S/C24H28ClN7O2/c1-4-20-22(23(26)29-24(27)28-20)18-8-9-19(25)21(13-18)30-31-32(10-11-34-16(3)33)14-17-7-5-6-15(2)12-17/h5-9,12-13H,4,10-11,14H2,1-3H3,(H4,26,27,28,29)/b31-30+
InChiKey: VNNVOYRMHLWWGK-NVQSTNCTSA-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	Dihydrofolate reductase	Starlite/ChEMBL	References
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania donovani	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium yoelii	thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Candida albicans	Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C)	Get druggable targets OG5_127385	All targets in OG5_127385
Theileria parva	dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Cryptosporidium parvum	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Onchocerca volvulus		Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	Get druggable targets OG5_128410	All targets in OG5_128410
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	Get druggable targets OG5_128410	All targets in OG5_128410
Leishmania major	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium ulcerans	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Loa Loa (eye worm)	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Schistosoma mansoni	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Echinococcus granulosus	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Echinococcus multilocularis	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Schistosoma japonicum	ko:K00560 thymidylate synthase [EC2.1.1.45], putative	Get druggable targets OG5_127385	All targets in OG5_127385
Babesia bovis	dihydrofolate reductase/thymidilate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania infantum	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma japonicum	ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative	Get druggable targets OG5_128410	All targets in OG5_128410
Brugia malayi	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Candida albicans	Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C)	Get druggable targets OG5_127385	All targets in OG5_127385
Loa Loa (eye worm)	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	Get druggable targets OG5_127385	All targets in OG5_127385
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania mexicana	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Candida albicans	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Mycobacterium ulcerans	dihydrofolate reductase DfrA	Get druggable targets OG5_128410	All targets in OG5_128410
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	Get druggable targets OG5_127385	All targets in OG5_127385
Cryptosporidium hominis	chain A, crystal structure of Dhfr	Get druggable targets OG5_127385	All targets in OG5_127385
Echinococcus granulosus	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Brugia malayi	Dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Chlamydia trachomatis	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Candida albicans	hypothetical protein	Get druggable targets OG5_128410	All targets in OG5_128410
Trypanosoma brucei gambiense	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Brugia malayi	dihydrofolate reductase family protein	Get druggable targets OG5_128410	All targets in OG5_128410
Plasmodium knowlesi	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Candida albicans	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Neospora caninum	Bifunctional dihydrofolate reductase-thymidylate synthase, related	Get druggable targets OG5_127385	All targets in OG5_127385
Echinococcus multilocularis	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania braziliensis	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium berghei	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Theileria parva	dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	187 aa	193 aa	32.1 %
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	210 aa	30.0 %
Cryptosporidium parvum	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	182 aa	33.5 %
Neospora caninum	Bifunctional dihydrofolate reductase-thymidylate synthase, related	Dihydrofolate reductase	187 aa	187 aa	35.8 %
Plasmodium berghei	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	187 aa	211 aa	28.4 %
Leishmania donovani	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	172 aa	36.0 %
Plasmodium knowlesi	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	187 aa	209 aa	29.2 %
Leishmania infantum	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	172 aa	36.0 %
Cryptosporidium hominis	chain A, crystal structure of Dhfr	Dihydrofolate reductase	187 aa	182 aa	34.1 %
Plasmodium yoelii	thymidylate synthase, putative	Dihydrofolate reductase	187 aa	212 aa	27.8 %
Trypanosoma brucei gambiense	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	210 aa	30.0 %
Babesia bovis	dihydrofolate reductase/thymidilate synthase	Dihydrofolate reductase	187 aa	191 aa	31.9 %
Leishmania mexicana	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	172 aa	33.7 %
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	186 aa	37.1 %
Leishmania braziliensis	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	172 aa	34.3 %
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	202 aa	29.2 %
Leishmania major	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	172 aa	36.0 %
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	187 aa	209 aa	29.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	tar DNA-binding protein	0.0144	0.1709	0.1706
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0003	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0147	0.0459
Echinococcus granulosus	FTZ F1 alpha	0.0021	0.0147	0.0144
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0021	0.0147	0.0144
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0011
Onchocerca volvulus		0.013	0.1532	1
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0018	0.01	0.0098
Brugia malayi	RNA recognition motif domain containing protein	0.0144	0.1709	0.5338
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0021	0.0147	0.0143
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.001	0.0004	0.0001
Schistosoma mansoni	hypothetical protein	0.0052	0.0539	0.0535
Schistosoma mansoni	hypothetical protein	0.0011	0.0018	0.0014
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0021	0.0147	0.0459
Echinococcus granulosus	Nuclear hormone receptor HR96	0.001	0.0004	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0147	0.0459
Echinococcus multilocularis	FTZ F1 alpha	0.0021	0.0147	0.0144
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0021	0.0147	0.0144
Echinococcus granulosus	Smad4	0.0018	0.01	0.0098
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0011
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.001	0.0004	0.0001
Echinococcus granulosus	cpg binding protein	0.0034	0.0309	0.0306
Loa Loa (eye worm)	hepatopoietin HPO2	0.0035	0.032	0.0999
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0052	0.0539	0.0536
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0052	0.0539	0.1683
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0011
Onchocerca volvulus	Protein ultraspiracle homolog	0.0021	0.0147	0.0937
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0068	0.0745	0.0741
Schistosoma mansoni	cpg binding protein	0.0032	0.0285	0.0282
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0021	0.0147	0.0144
Loa Loa (eye worm)	dihydrofolate reductase	0.026	0.3201	1
Loa Loa (eye worm)	TAR-binding protein	0.0144	0.1709	0.5338
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0021	0.0147	0.0459
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0147	0.0143
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.001	0.0004	0.0001
Brugia malayi	hypothetical protein	0.0062	0.0664	0.2074
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0019	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0019	0.0059
Loa Loa (eye worm)	MH1 domain-containing protein	0.0018	0.01	0.0314
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0021	0.0147	0.0937
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0262	0.3221	1
Schistosoma mansoni	tar DNA-binding protein	0.0144	0.1709	0.1706
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.026	0.3201	1
Echinococcus granulosus	dnaJ subfamily B	0.0457	0.5709	0.5708
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0164	0.1971	0.6156
Schistosoma mansoni	Smad4	0.0018	0.01	0.0097
Brugia malayi	MH2 domain containing protein	0.0018	0.01	0.0314
Brugia malayi	nuclear hormone receptor family member nhr-6	0.001	0.0004	0.0011
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0147	0.0144
Echinococcus granulosus	Nuclear hormone receptor HR96	0.001	0.0004	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1308	0.4086
Brugia malayi	nuclear receptor RXR	0.0011	0.0019	0.0059
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.001	0.0004	0.0001
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0035	0.032	0.0317
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0147	0.0459
Brugia malayi	hypothetical protein	0.0025	0.0192	0.0601
Brugia malayi	tailless protein	0.001	0.0004	0.0011
Brugia malayi	MH2 domain containing protein	0.0018	0.01	0.0314
Brugia malayi	Dihydrofolate reductase	0.026	0.3201	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0021	0.0147	0.0143
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0062	0.0664	0.1557
Schistosoma mansoni	hypothetical protein	0.0112	0.1308	0.1305
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0479	0.1496
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0021	0.0147	0.0459
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0035	0.032	0.0421
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0011
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0021	0.0147	0.0459
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0019	0.0059
Brugia malayi	CXXC zinc finger family protein	0.0032	0.0285	0.0892
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0147	0.0459
Onchocerca volvulus		0.0032	0.0285	0.1843
Brugia malayi	hypothetical protein	0.0011	0.0019	0.0059
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0021	0.0147	0.0459
Schistosoma mansoni	smad1 5 8 and	0.0018	0.01	0.0097
Schistosoma mansoni	RAR-like nuclear receptor	0.0021	0.0147	0.0143
Loa Loa (eye worm)	Smad1	0.0018	0.01	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0019	0.0059
Onchocerca volvulus	Bile acid receptor homolog	0.0021	0.0147	0.0937
Onchocerca volvulus		0.0021	0.0147	0.0937
Echinococcus multilocularis	geminin	0.0355	0.4403	0.4402
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0035	0.032	0.0421
Schistosoma mansoni	tar DNA-binding protein	0.0144	0.1709	0.1706
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0262	0.3221	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.001	0.0004	0.0011
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0004	0.0001
Brugia malayi	nuclear hormone receptor	0.001	0.0004	0.0011
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0052	0.0539	0.0536
Loa Loa (eye worm)	RNA binding protein	0.0144	0.1709	0.5338
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0479	0.0477
Echinococcus multilocularis	cpg binding protein	0.0034	0.0309	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0539	0.1683
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0144	0.1709	0.5338
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0021	0.0147	0.0459
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0262	0.3221	1
Schistosoma mansoni	smad1 5 8 and	0.0018	0.01	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0192	0.0601
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0021	0.0147	0.0459
Schistosoma mansoni	dihydrofolate reductase	0.026	0.3201	0.3198
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0011	0.0019	0.0016
Brugia malayi	hypothetical protein	0.001	0.0004	0.0011
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.001	0.0004	0.0001
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0021	0.0147	0.0143
Brugia malayi	dihydrofolate reductase family protein	0.026	0.3201	1
Brugia malayi	hypothetical protein	0.001	0.0004	0.0011
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0479	0.0475
Chlamydia trachomatis	dihydrofolate reductase	0.026	0.3201	0.5
Loa Loa (eye worm)	nuclear hormone receptor	0.001	0.0004	0.0011
Brugia malayi	hypothetical protein	0.0011	0.0019	0.0059
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0021	0.0147	0.0459
Echinococcus granulosus	smad	0.0018	0.01	0.0098
Echinococcus granulosus	GPCR family 2	0.0052	0.0539	0.0536
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.013	0.1532	0.1529
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0035	0.032	0.0421
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0019	0.0059
Brugia malayi	orphan nuclear receptor NR2E1	0.001	0.0004	0.0011
Schistosoma mansoni	microtubule-associated protein tau	0.0793	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0062	0.0664	0.5
Loa Loa (eye worm)	DR-78	0.001	0.0004	0.0011
Echinococcus granulosus	dihydrofolate reductase	0.026	0.3201	0.3199
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0147	0.0459
Echinococcus multilocularis	microtubule associated protein 2	0.0793	1	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0011	0.0019	0.0016
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0011
Brugia malayi	Nuclear hormone receptor E75	0.001	0.0004	0.0011
Brugia malayi	nuclear receptor RXR	0.001	0.0004	0.0011
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0021	0.0147	0.0459
Brugia malayi	nuclear hormone receptor	0.0021	0.0147	0.0459
Echinococcus multilocularis	Smad4	0.0018	0.01	0.0098
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0021	0.0147	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0019	0.0059
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0011
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.026	0.3201	1
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0018	0.01	0.0097
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0164	0.1971	0.6156
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0021	0.0147	0.0459
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0147	0.0459
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0021	0.0147	0.0459
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0052	0.0539	0.0536
Schistosoma mansoni	hypothetical protein	0.0052	0.0539	0.0535
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0147	0.0144
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0021	0.0147	0.0144
Brugia malayi	nuclear hormone receptor family member odr-7	0.001	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0147	0.0459
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0147	0.0143
Brugia malayi	TAR-binding protein	0.0144	0.1709	0.5338
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0147	0.0459
Brugia malayi	MH1 domain containing protein	0.0018	0.01	0.0314
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0011
Brugia malayi	MH2 domain containing protein	0.0258	0.3172	0.9911
Brugia malayi	Smad1	0.0018	0.01	0.0314
Echinococcus granulosus	thyroid hormone receptor alpha	0.001	0.0004	0.0001
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0011
Echinococcus multilocularis	dnaJ subfamily B	0.0457	0.5709	0.5708
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.0147	0.0459
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0147	0.0459
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0021	0.0147	0.0144
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0021	0.0147	0.0144
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0052	0.0539	0.1683
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0035	0.032	0.0421
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0147	0.0144
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0021	0.0147	0.0143
Echinococcus multilocularis	smad	0.0018	0.01	0.0098
Echinococcus granulosus	mothers against decapentaplegic 5	0.0018	0.01	0.0098
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0147	0.0459
Loa Loa (eye worm)	steroid hormone receptor	0.0021	0.0147	0.0459
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0164	0.1971	0.6156
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0479	0.0477
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0479	0.0477
Schistosoma mansoni	hypothetical protein	0.0052	0.0539	0.0535
Brugia malayi	nuclear receptor NHR-88	0.0021	0.0147	0.0459
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0479	0.0475
Echinococcus granulosus	nuclear receptor nhr 48	0.001	0.0004	0.0001
Loa Loa (eye worm)	nuclear receptor NHR-67	0.001	0.0004	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0147	0.0459
Echinococcus granulosus	tar DNA binding protein	0.0144	0.1709	0.1706
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0147	0.0459
Schistosoma mansoni	tar DNA-binding protein	0.0144	0.1709	0.1706
Brugia malayi	ecdysone receptor	0.001	0.0004	0.0011
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0021	0.0147	0.0144
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0021	0.0147	0.0143
Leishmania major	hypothetical protein, conserved	0.0035	0.032	0.0421
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0147	0.0144
Schistosoma mansoni	cpg binding protein	0.0034	0.0309	0.0305
Brugia malayi	hypothetical protein	0.0016	0.008	0.025
Brugia malayi	thymidylate synthase	0.013	0.1532	0.4787
Brugia malayi	photoreceptor-specific nuclear receptor	0.0021	0.0147	0.0459
Brugia malayi	MH1 domain containing protein	0.0018	0.01	0.0314
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0011
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0052	0.0539	0.0536
Echinococcus granulosus	geminin	0.0355	0.4403	0.4402
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0018	0.01	0.0098
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0262	0.3221	1
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0262	0.3221	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0258	0.3172	0.9911
Schistosoma mansoni	smad	0.0018	0.01	0.0097
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0479	0.0477
Brugia malayi	Steroid receptor seven-up type 2	0.0021	0.0147	0.0459
Echinococcus multilocularis	dihydrofolate reductase	0.026	0.3201	0.3199
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0021	0.0147	0.0143
Brugia malayi	nuclear receptor NHR-67	0.001	0.0004	0.0011
Brugia malayi	nuclear receptor NHR-88	0.001	0.0004	0.0011
Schistosoma mansoni	smad1 5 8 and	0.0018	0.01	0.0097
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0032	0.0285	0.0892
Toxoplasma gondii	Erv1 / Alr family protein	0.0035	0.032	0.0421
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0021	0.0147	0.0144
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0011
Schistosoma mansoni	tar DNA-binding protein	0.0144	0.1709	0.1706
Brugia malayi	Augmenter of liver regeneration	0.0035	0.032	0.0999
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0021	0.0147	0.0459
Echinococcus multilocularis	tar DNA binding protein	0.0144	0.1709	0.1706
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0011
Brugia malayi	steroid hormone receptor	0.0021	0.0147	0.0459
Schistosoma mansoni	hypothetical protein	0.0052	0.0539	0.0535
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0001	0.0003
Echinococcus granulosus	ecdysone induced protein 78C	0.0021	0.0147	0.0144
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0479	0.0475
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0021	0.0147	0.0143
Schistosoma mansoni	coup transcription factor	0.0021	0.0147	0.0143
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.001	0.0004	0.0011
Echinococcus granulosus	thymidylate synthase	0.013	0.1532	0.153
Loa Loa (eye worm)	hypothetical protein	0.0164	0.1971	0.6156
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0147	0.0459
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0035	0.032	0.0421
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0011
Schistosoma mansoni	hypothetical protein	0.0457	0.5709	0.5708
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0011	0.0019	0.0059
Brugia malayi	Latrophilin receptor protein 2	0.0052	0.0539	0.1683
Brugia malayi	RNA binding protein	0.0144	0.1709	0.5338
Echinococcus multilocularis	nuclear receptor nhr 48	0.001	0.0004	0.0001
Toxoplasma gondii	Erv1 / Alr family protein	0.0035	0.032	0.0421
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0035	0.032	0.0317
Brugia malayi	Nuclear hormone receptor E75	0.001	0.0004	0.0011
Schistosoma mansoni	hypothetical protein	0.0355	0.4403	0.4401
Echinococcus multilocularis	GPCR, family 2	0.0052	0.0539	0.0536
Loa Loa (eye worm)	MH2 domain-containing protein	0.0018	0.01	0.0314
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0011	0.0018	0.0015
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0061	0.0652	0.1517
Schistosoma mansoni	nuclear hormone receptor	0.0021	0.0147	0.0143
Brugia malayi	conserved hypotetical protein	0.001	0.0004	0.0011
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0479	0.1496
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0011	0.0019	0.0015
Loa Loa (eye worm)	thymidylate synthase	0.013	0.1532	0.4787
Echinococcus multilocularis	ecdysone induced protein 78C	0.0021	0.0147	0.0144
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0004	0.0001
Echinococcus multilocularis	thymidylate synthase	0.013	0.1532	0.153
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0019	0.0059
Loa Loa (eye worm)	transcription factor SMAD2	0.0258	0.3172	0.9911
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0021	0.0147	0.0144
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0035	0.032	0.0421
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0019	0.0015
Brugia malayi	ecdysteroid receptor	0.0021	0.0147	0.0459
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0147	0.0459
Schistosoma mansoni	cpg binding protein	0.0034	0.0309	0.0305
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0018	0.01	0.0098
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0262	0.3221	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0011
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0021	0.0147	0.0459
Schistosoma mansoni	retinoic acid receptor RXR	0.0021	0.0147	0.0143
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0021	0.0147	0.0459
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.013	0.1532	0.3423
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0011	0.0018	0.0015
Schistosoma mansoni	hypothetical protein	0.0355	0.4403	0.4401
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.026	0.3201	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0112	0.1308	0.4086

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5.29 uM	Inhibition of dihydrofolate reductase DHFR in Pneumocystis carinii.	ChEMBL.	11472209
IC50 (binding)	= 5.39 uM	Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii.	ChEMBL.	11472209
IC50 (binding)	= 5.39 uM	Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii.	ChEMBL.	11472209
IC50 (binding)	= 5.8 uM	Inhibitory activity against dihydrofolate reductase DHFR in rat liver	ChEMBL.	11472209
IC50 (binding)	= 5.8 uM	Inhibitory activity against dihydrofolate reductase DHFR in rat liver	ChEMBL.	11472209
IC50 (binding)	= 25.2 uM	Inhibitory activity against dihydrofolate reductase DHFR in Mycobacterium avium	ChEMBL.	11472209
IC50 (binding)	= 25.2 uM	Inhibitory activity against dihydrofolate reductase DHFR in Mycobacterium avium	ChEMBL.	11472209
Selectivity ratio (binding)	= 0.23	Selectivity ratio of IC50(rat liver)/IC50(M. avium)	ChEMBL.	11472209
Selectivity ratio (binding)	= 1.08	Selectivity ratio of IC50(rat liver)/IC50(T. gondii)	ChEMBL.	11472209
Selectivity ratio (binding)	= 1.1	Selectivity ratio of IC50(rat liver)/IC50(P. carinii)	ChEMBL.	11472209

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: CHEMBL315297

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 140888