TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 345.83 | Formula: C16H20ClN7
H donors: 2 H acceptors: 2 LogP: 3.76 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCc1nc(N)nc(c1c1ccc(c(c1)/N=N/N1CCCC1)Cl)N
InChi: 1S/C16H20ClN7/c1-2-12-14(15(18)21-16(19)20-12)10-5-6-11(17)13(9-10)22-23-24-7-3-4-8-24/h5-6,9H,2-4,7-8H2,1H3,(H4,18,19,20,21)/b23-22+
InChiKey: BYTIHTOMZAIRFT-GHVJWSGMSA-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
Pneumocystis carinii	Dihydrofolate reductase	Starlite/ChEMBL	References
Rattus norvegicus	Dihydrofolate reductase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	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
Schistosoma mansoni	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Schistosoma japonicum	ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative	Get druggable targets OG5_128410	All targets in OG5_128410
Candida albicans	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Loa Loa (eye worm)	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Candida albicans	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
Candida albicans	hypothetical protein	Get druggable targets OG5_128410	All targets in OG5_128410
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	Get druggable targets OG5_128410	All targets in OG5_128410
Chlamydia trachomatis	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Echinococcus multilocularis	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Echinococcus granulosus	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Brugia malayi	dihydrofolate reductase family protein	Get druggable targets OG5_128410	All targets in OG5_128410

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Babesia bovis	dihydrofolate reductase/thymidilate synthase	Dihydrofolate reductase	187 aa	191 aa	31.9 %
Leishmania braziliensis	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	172 aa	34.3 %
Leishmania major	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	172 aa	36.0 %
Leishmania infantum	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	172 aa	36.0 %
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	186 aa	37.1 %
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	187 aa	209 aa	29.2 %
Cryptosporidium parvum	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	182 aa	33.5 %
Cryptosporidium hominis	chain A, crystal structure of Dhfr	Dihydrofolate reductase	187 aa	182 aa	34.1 %
Theileria parva	dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	187 aa	193 aa	32.1 %
Plasmodium yoelii	thymidylate synthase, putative	Dihydrofolate reductase	187 aa	212 aa	27.8 %
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	206 aa	193 aa	29.5 %
Leishmania mexicana	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	172 aa	33.7 %
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	202 aa	29.2 %
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	210 aa	30.0 %
Plasmodium knowlesi	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	187 aa	209 aa	29.2 %
Leishmania donovani	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	172 aa	36.0 %
Neospora caninum	Bifunctional dihydrofolate reductase-thymidylate synthase, related	Dihydrofolate reductase	187 aa	187 aa	35.8 %
Trypanosoma brucei gambiense	dihydrofolate reductase-thymidylate synthase	Dihydrofolate reductase	187 aa	210 aa	30.0 %
Plasmodium berghei	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Dihydrofolate reductase	187 aa	211 aa	28.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0037	0.0504	0.011
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0541	0.0541
Loa Loa (eye worm)	hypothetical protein	0.002	0.0083	0.0083
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0068	0.1279	0.1279
Schistosoma mansoni	aldehyde dehydrogenase	0.0072	0.1379	0.1379
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0541	0.0541
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0541	0.0541
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0541	1
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.002	0.0083	0.0083
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0541	0.0123
Brugia malayi	glutathione reductase	0.0037	0.0504	0.0504
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0084	0.1689	0.1345
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.0541	0.0149
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.002	0.0083	0.0083
Mycobacterium tuberculosis	Probable oxidoreductase	0.0093	0.1925	0.159
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0541	0.0053
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0912	0.0912
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.002	0.0083	0.0083
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0697	0.0697
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0068	0.1279	0.0918
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.0541	0.0149
Loa Loa (eye worm)	hypothetical protein	0.002	0.0083	0.0083
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.002	0.0083	0.0083
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.002	0.0083	0.0083
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.002	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0388	0.9316	0.9316
Loa Loa (eye worm)	dihydrofolate reductase	0.0415	1	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.002	0.0083	0.0083
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.0541	0.0149
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0541	0.0541
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0415	1	1
Schistosoma mansoni	nAChR subunit	0.002	0.0083	0.0083
Schistosoma mansoni	nAChR subunit	0.002	0.0083	0.0083
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.002	0.0083	0.0083
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.002	0.0083	0.0083
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.002	0.0083	0.0083
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0072	0.1379	0.0931
Echinococcus granulosus	glycine receptor subunit alpha 1	0.002	0.0083	0.0083
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0541	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0084	0.1689	0.1345
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.002	0.0083	0.0083
Onchocerca volvulus		0.0038	0.0541	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.049	0.049
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0093	0.1925	0.159
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.002	0.0083	0.0083
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.0494	0.0494
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0541	0.0541
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.002	0.0083	0.0083
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0388	0.9316	1
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.002	0.0083	0.0083
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0072	0.1379	0.1021
Loa Loa (eye worm)	hypothetical protein	0.002	0.0083	0.0083
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0697	0.0697
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0697	0.0697
Brugia malayi	Cation transporter family protein	0.002	0.0083	0.0083
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0068	0.1279	0.0826
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.002	0.0083	0.0083
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0541	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0083	0.0083
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0068	0.1279	0.1279
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0159	0.3563	1
Brugia malayi	beta-lactamase family protein	0.0038	0.0541	0.0541
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0541	0.0541
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.002	0.0083	0.0083
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.002	0.0083	0.0083
Mycobacterium ulcerans	lipase LipD	0.0038	0.0541	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0912	0.0912
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.002	0.0083	0.0083
Schistosoma mansoni	nAChR subunit	0.002	0.0083	0.0083
Toxoplasma gondii	thioredoxin reductase	0.0037	0.0504	0.003
Loa Loa (eye worm)	hypothetical protein	0.0198	0.4555	0.4555
Brugia malayi	Cation transporter family protein	0.002	0.0083	0.0083
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0072	0.1379	0.0931
Echinococcus multilocularis	glycine receptor subunit beta	0.002	0.0083	0.0083
Mycobacterium tuberculosis	Probable dehydrogenase	0.0084	0.1689	0.1345
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0084	0.1689	0.1345
Loa Loa (eye worm)	hypothetical protein	0.002	0.0083	0.0083
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.002	0.0083	0.0083
Brugia malayi	Thioredoxin reductase	0.0037	0.0504	0.0504
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0541	0.0149
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.0494	0.5
Schistosoma mansoni	dihydrofolate reductase	0.0415	1	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0072	0.1379	0.2883
Trichomonas vaginalis	esterase, putative	0.0038	0.0541	1
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0068	0.1279	0.089
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0093	0.1925	0.159
Leishmania major	hypothetical protein, conserved	0.0038	0.0541	0.0053
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0697	0.0697
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.002	0.0083	0.0083
Echinococcus granulosus	dihydrofolate reductase	0.0415	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0083	0.0083
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.002	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.002	0.0083	0.0083
Echinococcus multilocularis	glycine receptor subunit beta	0.002	0.0083	0.0083
Mycobacterium ulcerans	beta-lactamase	0.0038	0.0541	0.0049
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0541	0.0541
Loa Loa (eye worm)	hypothetical protein	0.002	0.0083	0.0083
Schistosoma mansoni	aldehyde dehydrogenase	0.0072	0.1379	0.1379
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0541	0.0149
Schistosoma mansoni	hypothetical protein	0.0036	0.049	0.049
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.0541	0.0149
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.002	0.0083	0.0083
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0068	0.1279	0.1279
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0072	0.1379	0.1379
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.002	0.0083	0.0083
Leishmania major	trypanothione reductase	0.0037	0.0504	0.0011
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.0541	0.0049
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.002	0.0083	0.0083
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.002	0.0083	0.0083
Loa Loa (eye worm)	ACC-1 protein	0.002	0.0083	0.0083
Schistosoma mansoni	nAChR subunit	0.002	0.0083	0.0083
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0415	1	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.002	0.0083	0.0083
Echinococcus granulosus	thioredoxin glutathione reductase	0.0037	0.0516	0.0516
Loa Loa (eye worm)	hypothetical protein	0.002	0.0083	0.0083
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0063	0.1165	0.1165
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0541	0.0541
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0388	0.9316	0.9316
Loa Loa (eye worm)	glutathione reductase	0.0037	0.0504	0.0504
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.002	0.0083	0.0083
Trypanosoma cruzi	trypanothione reductase, putative	0.0037	0.0504	0.0011
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0068	0.1279	0.0826
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.002	0.0083	0.0083
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.002	0.0083	0.0083
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0697	0.0697
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0072	0.1379	0.0931
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0541	0.0541
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.002	0.0083	0.0083
Loa Loa (eye worm)	cytochrome P450 family protein	0.0034	0.0442	0.0442
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0084	0.1689	0.1345
Brugia malayi	beta-lactamase	0.0038	0.0541	0.0541
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.002	0.0083	0.0083
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.002	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.002	0.0083	0.0083
Echinococcus multilocularis	nAChR subunit	0.002	0.0083	0.0083
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0159	0.3563	0.3479
Schistosoma mansoni	nAChR subunit	0.002	0.0083	0.0083
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0541	0.0541
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0697	0.0697
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.0494	0.5
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.002	0.0083	0.0083
Schistosoma mansoni	nAChR subunit	0.002	0.0083	0.0083
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0541	1
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0541	0.0149
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0037	0.0516	0.0516
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0541	0.0541
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0084	0.1689	0.1345
Onchocerca volvulus		0.0038	0.0541	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.0541	0.0149
Brugia malayi	beta-lactamase family protein	0.0038	0.0541	0.0541
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0068	0.1279	0.1279
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.0541	0.0149
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.002	0.0083	0.0083
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.002	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0036	0.049	0.049
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0388	0.9316	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.002	0.0083	0.0083
Loa Loa (eye worm)	LGC-31 protein	0.002	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.002	0.0083	0.0083
Schistosoma mansoni	nAChR subunit	0.002	0.0083	0.0083
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.0541	0.0149
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0159	0.3563	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0912	0.0912
Loa Loa (eye worm)	hypothetical protein	0.002	0.0083	0.0083
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.002	0.0083	0.0083
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.002	0.0083	0.0083
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.002	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.002	0.0083	0.0083
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.002	0.0083	0.0083
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.0541	0.0149
Leishmania major	C-8 sterol isomerase-like protein	0.0388	0.9316	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.002	0.0083	0.0083
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.002	0.0083	0.0083
Brugia malayi	excitatory GABA receptor EXP-1A	0.002	0.0083	0.0083
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0072	0.1379	0.1003
Mycobacterium tuberculosis	Probable reductase	0.0084	0.1689	0.1345
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0093	0.1925	0.159
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0541	0.0541
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0541	1
Echinococcus granulosus	glycine receptor subunit beta	0.002	0.0083	0.0083
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0697	0.0697
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0415	1	1
Echinococcus granulosus	glycine receptor subunit alpha 1	0.002	0.0083	0.0083
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0159	0.3563	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.0541	0.0049
Loa Loa (eye worm)	hypothetical protein	0.002	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.002	0.0083	0.0083
Loa Loa (eye worm)	ACC-1 protein	0.002	0.0083	0.0083
Mycobacterium leprae	Probable lipase LipE	0.0038	0.0541	0.0149
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.002	0.0083	0.0083
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0494	0.0494
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.002	0.0083	0.0083
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0159	0.3563	0.3479
Brugia malayi	Cation transporter family protein	0.002	0.0083	0.0083
Echinococcus granulosus	glycine receptor subunit beta	0.002	0.0083	0.0083
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0541	0.0053
Loa Loa (eye worm)	thioredoxin reductase	0.0037	0.0504	0.0504
Toxoplasma gondii	ABC1 family protein	0.0038	0.0541	0.0153
Echinococcus granulosus	nAChR subunit	0.002	0.0083	0.0083
Chlamydia trachomatis	dihydrofolate reductase	0.0415	1	0.5
Brugia malayi	Cytochrome P450 family protein	0.0034	0.0442	0.0442
Loa Loa (eye worm)	inositol-1	0.0036	0.0494	0.0494
Onchocerca volvulus		0.0038	0.0541	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.002	0.0083	0.0083
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0912	0.0912
Trypanosoma brucei	trypanothione reductase	0.0037	0.0504	0.0011
Echinococcus multilocularis	dihydrofolate reductase	0.0415	1	1
Brugia malayi	Dihydrofolate reductase	0.0415	1	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0245	0.5731	0.5554
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0072	0.1379	0.1379
Mycobacterium ulcerans	hypothetical protein	0.0038	0.0541	0.0049
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0541	0.0541
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.002	0.0083	0.0083
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0697	0.0697
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.002	0.0083	0.0083
Brugia malayi	Inositol-1	0.0036	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.002	0.0083	0.0083
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0697	0.0697
Loa Loa (eye worm)	hypothetical protein	0.002	0.0083	0.0083
Echinococcus granulosus	glycine receptor subunit alpha 1	0.002	0.0083	0.0083
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.0494	0.0494
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0159	0.3563	0.3479
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0541	0.0053

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 11 uM	In vitro inhibitory concentration against Pneumocystis carinii dihydrofolate reductase	ChEMBL.	9191966
IC50 (binding)	> 11 uM	In vitro inhibitory concentration against rat liver dihydrofolate reductase	ChEMBL.	9191966
IC50 (binding)	> 11 uM	In vitro inhibitory concentration against Pneumocystis carinii dihydrofolate reductase	ChEMBL.	9191966
IC50 (binding)	> 11 uM	In vitro inhibitory concentration against rat liver dihydrofolate reductase	ChEMBL.	9191966

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: CHEMBL56366

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 83486