TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 783.603 | Formula: C37H50BBrN5O6S-
H donors: 3 H acceptors: 3 LogP: 6.58 Rotable bonds: 17
Rule of 5 violations (Lipinski): 2
SMILES: N/N=C(/CCCC(B1O[C@H]2[C@@](O1)(C)C1CC(C2)C1(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\S.[Br-]
InChi: 1S/C37H50BN5O6S.BrH/c1-36(2)26-21-29(36)37(3)30(22-26)48-38(49-37)31(17-10-18-32(50)42-39)41-33(44)28-16-11-19-43(28)34(45)27(20-24-12-6-4-7-13-24)40-35(46)47-23-25-14-8-5-9-15-25;/h4-9,12-15,26-31H,10-11,16-23,39H2,1-3H3,(H,40,46)(H,41,44)(H,42,50);1H/p-1/t26?,27-,28-,29?,30+,31?,37-;/m0./s1
InChiKey: UAQQNLPTVQXSEN-OIAZJYILSA-M

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
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Curated by TDR Targets	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania mexicana	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
Candida albicans	Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C)	Get druggable targets OG5_127385	All targets in OG5_127385
Neospora caninum	Bifunctional dihydrofolate reductase-thymidylate synthase, related	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
Leishmania donovani	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma japonicum	ko:K00560 thymidylate synthase [EC2.1.1.45], putative	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
Plasmodium yoelii	thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium ulcerans	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
Onchocerca volvulus		Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Trypanosoma brucei gambiense	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium knowlesi	bifunctional dihydrofolate reductase-thymidylate synthase, putative	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 major	dihydrofolate reductase-thymidylate synthase	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
Brugia malayi	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 granulosus	thymidylate synthase	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
Plasmodium berghei	bifunctional dihydrofolate reductase-thymidylate synthase, putative	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
Theileria parva	dihydrofolate reductase-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
Cryptosporidium parvum	dihydrofolate reductase-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
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385

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	Dihydrofolate reductase	0.0053	0.0475	0.0787
Schistosoma mansoni	egf-like domain protein	0.0016	0.0007	0.0007
Loa Loa (eye worm)	TK/ROR protein kinase	0.0083	0.0862	0.1429
Toxoplasma gondii	microneme protein MIC4	0.0017	0.002	0.0035
Onchocerca volvulus	Protein ultraspiracle homolog	0.049	0.6033	0.9513
Echinococcus multilocularis	cpg binding protein	0.003	0.0183	0.0183
Brugia malayi	ecdysteroid receptor	0.049	0.6033	1
Trypanosoma brucei	glutamine synthetase, putative	0.0726	0.9044	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0231	0.2741	0.3031
Echinococcus granulosus	enteropeptidase	0.0052	0.0459	0.0508
Schistosoma mansoni	cercarial elastase (S01 family)	0.0052	0.0459	0.0508
Plasmodium falciparum	cysteine repeat modular protein 1	0.0083	0.0862	0.15
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0428	0.071
Loa Loa (eye worm)	DR-78	0.0231	0.2741	0.4543
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0231	0.2741	0.4543
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0459	0.0761
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0016	0.0007	0.0011
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.049	0.6033	1
Mycobacterium ulcerans	hypothetical protein	0.0183	0.2134	0.3168
Brugia malayi	Muscleblind-like protein	0.0148	0.168	0.2785
Brugia malayi	conserved hypotetical protein	0.0231	0.2741	0.4543
Loa Loa (eye worm)	hypothetical protein	0.049	0.6033	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.049	0.6033	1
Brugia malayi	nuclear hormone receptor	0.049	0.6033	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0052	0.0459	0.0508
Echinococcus multilocularis	geminin	0.0367	0.4475	0.4475
Echinococcus multilocularis	enteropeptidase	0.0052	0.0459	0.0459
Plasmodium falciparum	basic transcription factor 3b, putative	0.0035	0.0241	0.0419
Onchocerca volvulus		0.0017	0.002	0.0021
Brugia malayi	Protein kinase domain containing protein	0.0083	0.0862	0.1429
Echinococcus multilocularis	dihydrofolate reductase	0.0053	0.0475	0.0475
Schistosoma mansoni	cercarial elastase (S01 family)	0.0052	0.0459	0.0508
Brugia malayi	nuclear receptor NHR-88	0.049	0.6033	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0062	0.0594	0.0657
Echinococcus granulosus	dnaJ subfamily B	0.0404	0.4946	0.5468
Echinococcus granulosus	cpg binding protein	0.003	0.0183	0.0202
Brugia malayi	steroid hormone receptor	0.049	0.6033	1
Toxoplasma gondii	PAN domain-containing protein	0.0017	0.002	0.0035
Schistosoma mansoni	glutamine synthetase bacteria	0.0183	0.2134	0.2359
Echinococcus multilocularis	fibrillin 1	0.0016	0.0007	0.0007
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.049	0.6033	1
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0016	0.0007	0.0011
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.049	0.6033	1
Loa Loa (eye worm)	hypothetical protein	0.0231	0.2741	0.4543
Brugia malayi	Trypsin family protein	0.0052	0.0459	0.0761
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.049	0.6033	1
Schistosoma mansoni	coup transcription factor	0.049	0.6033	0.6671
Toxoplasma gondii	PAN domain-containing protein	0.0017	0.002	0.0035
Echinococcus granulosus	muscleblind protein	0.0148	0.168	0.1858
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0007	0.0011
Brugia malayi	PAN domain containing protein	0.0017	0.002	0.0033
Leishmania major	hypothetical protein, conserved	0.0083	0.0862	0.0953
Onchocerca volvulus		0.0017	0.002	0.0021
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0065	0.0632	0.0699
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.0516	0.0898
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.049	0.6033	1
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0053	0.0475	0.003
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0231	0.2741	0.4543
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.049	0.6033	0.6671
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0052	0.0459	0.0508
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0231	0.2741	0.2741
Schistosoma mansoni	hypothetical protein	0.0367	0.4475	0.4948
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0231	0.2741	0.2741
Onchocerca volvulus		0.0017	0.002	0.0021
Loa Loa (eye worm)	dihydrofolate reductase	0.0053	0.0475	0.0787
Schistosoma mansoni	nuclear hormone receptor	0.0231	0.2741	0.3031
Loa Loa (eye worm)	hypothetical protein	0.0034	0.023	0.0381
Loa Loa (eye worm)	hypothetical protein	0.049	0.6033	1
Brugia malayi	hypothetical protein	0.0259	0.3094	0.5127
Schistosoma mansoni	cpg binding protein	0.0028	0.0162	0.018
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.049	0.6033	0.6671
Echinococcus multilocularis	ecdysone induced protein 78C	0.049	0.6033	0.6033
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0231	0.2741	0.4543
Brugia malayi	nuclear receptor NHR-88	0.0231	0.2741	0.4543
Toxoplasma gondii	PAN domain-containing protein	0.0017	0.002	0.0035
Schistosoma mansoni	hypothetical protein	0.0083	0.0862	0.0953
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0259	0.3094	0.3421
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0231	0.2741	0.4543
Echinococcus multilocularis	dnaJ subfamily B	0.0404	0.4946	0.4946
Loa Loa (eye worm)	PAN domain-containing protein	0.0017	0.002	0.0033
Brugia malayi	Steroid receptor seven-up type 2	0.049	0.6033	1
Onchocerca volvulus		0.0065	0.0632	0.0988
Brugia malayi	nuclear receptor RXR	0.0231	0.2741	0.4543
Schistosoma mansoni	hypothetical protein	0.0034	0.023	0.0254
Schistosoma mansoni	glutamine synthetase 1 2 (glutamate-amonia ligase) (gs)	0.0726	0.9044	1
Loa Loa (eye worm)	hypothetical protein	0.0231	0.2741	0.4543
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.049	0.6033	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0231	0.2741	0.4316
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.049	0.6033	0.6671
Brugia malayi	PAN domain containing protein	0.0017	0.002	0.0033
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0065	0.0632	0.0632
Brugia malayi	thymidylate synthase	0.013	0.1453	0.2408
Loa Loa (eye worm)	hypothetical protein	0.0017	0.002	0.0033
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.049	0.6033	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0231	0.2741	0.4316
Loa Loa (eye worm)	hypothetical protein	0.0158	0.1813	0.3006
Plasmodium falciparum	glutamine synthetase, putative	0.0467	0.5746	1
Loa Loa (eye worm)	hypothetical protein	0.0231	0.2741	0.4543
Echinococcus multilocularis	nuclear receptor nhr 48	0.0231	0.2741	0.2741
Loa Loa (eye worm)	hypothetical protein	0.0158	0.1813	0.3006
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.049	0.6033	0.6671
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.049	0.6033	1
Loa Loa (eye worm)	hypothetical protein	0.049	0.6033	1
Onchocerca volvulus		0.0017	0.002	0.0021
Mycobacterium leprae	PROBABLE GLUTAMINE SYNTHETASE GLNA2 (GLUTAMINE SYNTHASE) (GS-II)	0.0467	0.5746	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.049	0.6033	0.6671
Mycobacterium ulcerans	glutamine synthetase GlnA1	0.0467	0.5746	1
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0016	0.0007	0.0011
Loa Loa (eye worm)	PAN domain-containing protein	0.0017	0.002	0.0033
Brugia malayi	Nuclear hormone receptor E75	0.0231	0.2741	0.4543
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0007	0.0011
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0083	0.0862	0.15
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.049	0.6033	0.6671
Toxoplasma gondii	subtilisin SUB12	0.0017	0.002	0.0035
Loa Loa (eye worm)	PAN domain-containing protein	0.0017	0.002	0.0033
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0231	0.2741	0.3031
Brugia malayi	PAN domain containing protein	0.0017	0.002	0.0033
Schistosoma mansoni	hypothetical protein	0.0052	0.0459	0.0508
Brugia malayi	PAN domain containing protein	0.0017	0.002	0.0033
Schistosoma mansoni	cercarial elastase (S01 family)	0.0052	0.0459	0.0508
Toxoplasma gondii	kringle domain-containing protein	0.0083	0.0862	0.15
Brugia malayi	nuclear receptor NHR-67	0.0231	0.2741	0.4543
Trichomonas vaginalis	glutamine synthetase, putative	0.0183	0.2134	0.3102
Trypanosoma cruzi	glutamine synthetase, putative	0.0726	0.9044	1
Loa Loa (eye worm)	hypothetical protein	0.049	0.6033	1
Echinococcus multilocularis	transcription factor btf3	0.0035	0.0241	0.0241
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.049	0.6033	0.6671
Schistosoma mansoni	cpg binding protein	0.003	0.0183	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0259	0.3094	0.5127
Brugia malayi	Pre-SET motif family protein	0.0065	0.0632	0.1048
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0052	0.0459	0.0459
Loa Loa (eye worm)	PAN domain-containing protein	0.0017	0.002	0.0033
Brugia malayi	photoreceptor-specific nuclear receptor	0.049	0.6033	1
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0016	0.0007	0.0011
Echinococcus multilocularis	tissue type plasminogen activator	0.0083	0.0862	0.0862
Onchocerca volvulus		0.0106	0.1155	0.1813
Toxoplasma gondii	microneme protein, putative	0.0017	0.002	0.0035
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.049	0.6033	0.6033
Brugia malayi	PAN domain containing protein	0.0017	0.002	0.0033
Schistosoma mansoni	nuclear hormone receptor	0.049	0.6033	0.6671
Schistosoma mansoni	cercarial elastase (S01 family)	0.0052	0.0459	0.0508
Toxoplasma gondii	PAN domain-containing protein	0.0017	0.002	0.0035
Schistosoma mansoni	glutamine synthetase bacteria	0.0183	0.2134	0.2359
Loa Loa (eye worm)	hypothetical protein	0.0148	0.168	0.2785
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0862	0.1429
Onchocerca volvulus		0.049	0.6033	0.9513
Toxoplasma gondii	microneme protein MIC17C	0.0017	0.002	0.0035
Brugia malayi	Trypsin family protein	0.0158	0.1813	0.3006
Echinococcus multilocularis	transmembrane protease serine 3	0.0052	0.0459	0.0459
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0231	0.2741	0.3031
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0231	0.2741	0.3031
Brugia malayi	Nuclear hormone receptor-like 1	0.0259	0.3094	0.5127
Echinococcus granulosus	dihydrofolate reductase	0.0053	0.0475	0.0525
Loa Loa (eye worm)	hypothetical protein	0.049	0.6033	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0231	0.2741	0.3031
Brugia malayi	orphan nuclear receptor NR2E1	0.0231	0.2741	0.4543
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0231	0.2741	0.3031
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0428	0.071
Brugia malayi	nuclear receptor RXR	0.0259	0.3094	0.5127
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0052	0.0459	0.0508
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0162	0.0269
Schistosoma mansoni	zinc finger protein	0.0231	0.2741	0.3031
Brugia malayi	Kringle domain containing protein	0.0083	0.0862	0.1429
Brugia malayi	hypothetical protein	0.0231	0.2741	0.4543
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.049	0.6033	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0052	0.0459	0.0508
Brugia malayi	Trypsin-like protease protein 5	0.0052	0.0459	0.0761
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0183	0.2127	0.3701
Schistosoma mansoni	thyroid hormone receptor	0.049	0.6033	0.6671
Schistosoma mansoni	hypothetical protein	0.0404	0.4946	0.5468
Leishmania major	glutamine synthetase, putative	0.0726	0.9044	1
Echinococcus multilocularis	muscleblind protein	0.0148	0.168	0.168
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.049	0.6033	0.6033
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0052	0.0459	0.0508
Trypanosoma cruzi	hypothetical protein, conserved	0.0083	0.0862	0.0953
Onchocerca volvulus	Glutamine synthetase homolog	0.0467	0.5746	0.9059
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0231	0.2741	0.2741
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.049	0.6033	1
Trypanosoma cruzi	glutamine synthetase, putative	0.0726	0.9044	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.049	0.6033	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0231	0.2741	0.3031
Loa Loa (eye worm)	hypothetical protein	0.0017	0.002	0.0033
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0052	0.0459	0.0761
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0459	0.0761
Brugia malayi	hypothetical protein	0.0052	0.0459	0.0761
Echinococcus multilocularis	Mastin	0.0052	0.0459	0.0459
Onchocerca volvulus		0.0017	0.002	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0007	0.0011
Plasmodium vivax	SET domain protein, putative	0.0065	0.0632	0.1101
Trichomonas vaginalis	glutamine synthetase-bacteria, putative	0.0183	0.2134	0.3102
Loa Loa (eye worm)	hypothetical protein	0.0017	0.002	0.0033
Onchocerca volvulus		0.0028	0.0162	0.0246
Brugia malayi	nuclear hormone receptor	0.0231	0.2741	0.4543
Loa Loa (eye worm)	Gln-2 protein	0.0467	0.5746	0.9524
Loa Loa (eye worm)	hypothetical protein	0.0259	0.3094	0.5127
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0016	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0231	0.2741	0.4543
Schistosoma mansoni	dihydrofolate reductase	0.0053	0.0475	0.0525
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0052	0.0459	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0459	0.0761
Loa Loa (eye worm)	hypothetical protein	0.0231	0.2741	0.4543
Loa Loa (eye worm)	hypothetical protein	0.0148	0.168	0.2785
Echinococcus granulosus	FTZ F1 alpha	0.049	0.6033	0.6671
Brugia malayi	beta-NAC-like protein	0.0035	0.0241	0.0399
Toxoplasma gondii	microneme protein MIC17A	0.0017	0.002	0.0035
Schistosoma mansoni	hypothetical protein	0.0061	0.0577	0.0638
Brugia malayi	PAN domain containing protein	0.0017	0.002	0.0033
Brugia malayi	hypothetical protein	0.0062	0.0587	0.0973
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0231	0.2741	0.2741
Brugia malayi	hypothetical protein	0.0231	0.2741	0.4543
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0162	0.0269
Loa Loa (eye worm)	ICD-1 protein	0.0035	0.0241	0.0399
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.049	0.6033	0.6671
Loa Loa (eye worm)	thymidylate synthase	0.013	0.1453	0.2408
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0052	0.0459	0.0508
Schistosoma mansoni	RAR-like nuclear receptor	0.049	0.6033	0.6671
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0183	0.2127	0.3701
Echinococcus granulosus	glycoprotein Antigen 5	0.0052	0.0459	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0017	0.002	0.0033
Schistosoma mansoni	cercarial elastase (S01 family)	0.0052	0.0459	0.0508
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.049	0.6033	0.6033
Brugia malayi	Pre-SET motif family protein	0.0452	0.5549	0.9198
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0065	0.0632	0.1101
Trypanosoma brucei	transcription factor BTF3, putative	0.0035	0.0241	0.0267
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0183	0.2127	0.2351
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0183	0.2127	0.2351
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.013	0.1453	0.1856
Onchocerca volvulus		0.0017	0.002	0.0021
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.049	0.6033	0.6033
Echinococcus granulosus	transmembrane protease serine 3	0.0052	0.0459	0.0508
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0231	0.2741	0.2741
Onchocerca volvulus		0.0017	0.002	0.0021
Leishmania major	basic transcription factor 3a, putative	0.0035	0.0241	0.0267
Entamoeba histolytica	glutamine synthetase, putative	0.0183	0.2134	1
Loa Loa (eye worm)	hypothetical protein	0.0231	0.2741	0.4543
Onchocerca volvulus		0.0017	0.002	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0017	0.002	0.0033
Schistosoma mansoni	thyroid hormone receptor	0.049	0.6033	0.6671
Onchocerca volvulus		0.0017	0.002	0.0021
Toxoplasma gondii	NAC domain-containing protein	0.0035	0.0241	0.0419
Trypanosoma cruzi	transcription factor btf3, putative	0.0035	0.0241	0.0267
Echinococcus granulosus	thymidylate synthase	0.013	0.1453	0.1607
Echinococcus granulosus	ecdysone induced protein 78C	0.049	0.6033	0.6671
Loa Loa (eye worm)	hypothetical protein	0.049	0.6033	1
Plasmodium vivax	glutamine synthetase, putative	0.0467	0.5746	1
Loa Loa (eye worm)	hypothetical protein	0.0231	0.2741	0.4543
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0259	0.3094	0.5127
Schistosoma mansoni	retinoic acid receptor RXR	0.049	0.6033	0.6671
Schistosoma mansoni	cercarial elastase (S01 family)	0.0052	0.0459	0.0508
Onchocerca volvulus	Bile acid receptor homolog	0.049	0.6033	0.9513
Echinococcus granulosus	transcription factor btf3	0.0035	0.0241	0.0267
Loa Loa (eye worm)	PAN domain-containing protein	0.0017	0.002	0.0033
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0158	0.1813	0.2005
Echinococcus granulosus	laminin	0.0016	0.0007	0.0007
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0052	0.0459	0.0459
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.049	0.6033	0.6671
Brugia malayi	Trypsin family protein	0.0052	0.0459	0.0761
Brugia malayi	PAN domain containing protein	0.0017	0.002	0.0033
Mycobacterium ulcerans	thymidylate synthase	0.013	0.1453	0.188
Toxoplasma gondii	microneme protein MIC17B	0.0017	0.002	0.0035
Echinococcus granulosus	Mastin	0.0052	0.0459	0.0508
Toxoplasma gondii	PAN domain-containing protein	0.0017	0.002	0.0035
Echinococcus multilocularis	neuropeptide s receptor	0.0457	0.5617	0.5617
Entamoeba histolytica	glutamine synthetase, putative	0.0183	0.2134	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.049	0.6033	1
Brugia malayi	Trypsin family protein	0.0052	0.0459	0.0761
Echinococcus multilocularis	FTZ F1 alpha	0.049	0.6033	0.6033
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0632	0.1048
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.049	0.6033	0.6671
Onchocerca volvulus		0.0052	0.0459	0.0714
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0452	0.5549	0.9198
Echinococcus granulosus	glutamine synthetase	0.0726	0.9044	1
Onchocerca volvulus		0.0231	0.2741	0.4316
Brugia malayi	PAN domain containing protein	0.0017	0.002	0.0033
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0428	0.071
Loa Loa (eye worm)	hypothetical protein	0.0231	0.2741	0.4543
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0259	0.3094	0.3421
Onchocerca volvulus		0.0158	0.1813	0.2852
Brugia malayi	ecdysone receptor	0.0231	0.2741	0.4543
Loa Loa (eye worm)	hypothetical protein	0.0231	0.2741	0.4543
Schistosoma mansoni	steroid hormone receptor ad4bp	0.049	0.6033	0.6671
Toxoplasma gondii	PAN domain-containing protein	0.0017	0.002	0.0035
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.049	0.6033	0.6033
Brugia malayi	nuclear hormone receptor family member odr-7	0.0231	0.2741	0.4543
Schistosoma mansoni	hypothetical protein	0.0052	0.0459	0.0508
Echinococcus multilocularis	thymidylate synthase	0.013	0.1453	0.1453
Schistosoma mansoni	cercarial elastase (S01 family)	0.0052	0.0459	0.0508
Schistosoma mansoni	cercarial elastase (S01 family)	0.0052	0.0459	0.0508
Toxoplasma gondii	1,3(4)-beta-glucanase	0.0017	0.002	0.0035
Schistosoma mansoni	nuclear receptor	0.0231	0.2741	0.3031
Toxoplasma gondii	hypothetical protein	0.0017	0.002	0.0035
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0158	0.1813	0.2005
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.013	0.1453	0.1607
Echinococcus multilocularis	glycoprotein Antigen 5	0.0052	0.0459	0.0459
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0183	0.2127	0.3701
Schistosoma mansoni	hypothetical protein	0.0367	0.4475	0.4948
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0052	0.0459	0.0508
Echinococcus granulosus	nuclear receptor nhr 48	0.0231	0.2741	0.3031
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0062	0.0587	0.0649
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.013	0.1453	0.2529
Mycobacterium ulcerans	glutamine synthetase	0.0467	0.5746	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0459	0.0761
Brugia malayi	Fibulin-1 precursor	0.0016	0.0007	0.0011
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.049	0.6033	1
Brugia malayi	PAN domain containing protein	0.0017	0.002	0.0033
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.049	0.6033	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0457	0.5617	0.5617
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0065	0.0632	0.0699
Loa Loa (eye worm)	hypothetical protein	0.0017	0.002	0.0033
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.0598	0.0661
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.023	0.0381
Onchocerca volvulus		0.013	0.1453	0.2283
Loa Loa (eye worm)	hypothetical protein	0.0259	0.3094	0.5127
Onchocerca volvulus		0.0052	0.0459	0.0714
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.049	0.6033	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.049	0.6033	0.6671
Echinococcus multilocularis	thyroid hormone receptor alpha	0.049	0.6033	0.6033
Loa Loa (eye worm)	nuclear hormone receptor	0.0231	0.2741	0.4543
Echinococcus multilocularis	muscleblind protein 1	0.0148	0.168	0.168
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.049	0.6033	0.6671
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.049	0.6033	1
Toxoplasma gondii	glutamine synthetase, type I, putative	0.0467	0.5746	1
Loa Loa (eye worm)	steroid hormone receptor	0.049	0.6033	1
Chlamydia trachomatis	dihydrofolate reductase	0.0053	0.0475	0.5
Echinococcus granulosus	neuropeptide s receptor	0.0457	0.5617	0.6211
Toxoplasma gondii	PAN/Apple domain-containing protein	0.0017	0.002	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0459	0.0761
Schistosoma mansoni	cpg binding protein	0.003	0.0183	0.0202
Brugia malayi	PAN domain containing protein	0.0017	0.002	0.0033
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0428	0.071
Echinococcus granulosus	Tolloid protein 1	0.0016	0.0007	0.0007
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0052	0.0459	0.0508
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0065	0.0632	0.0632
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0065	0.0632	0.0699
Loa Loa (eye worm)	hypothetical protein	0.0231	0.2741	0.4543
Onchocerca volvulus		0.0017	0.002	0.0021
Schistosoma mansoni	transcription factor btf3	0.0035	0.0241	0.0267
Echinococcus granulosus	thyroid hormone receptor alpha	0.0231	0.2741	0.3031
Onchocerca volvulus		0.0083	0.0862	0.135
Loa Loa (eye worm)	hypothetical protein	0.0017	0.002	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0231	0.2741	0.4543
Loa Loa (eye worm)	hypothetical protein	0.049	0.6033	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0065	0.0632	0.0699
Brugia malayi	Nuclear hormone receptor-like 1	0.0259	0.3094	0.5127
Echinococcus granulosus	histone lysine methyltransferase setb	0.0065	0.0632	0.0699
Loa Loa (eye worm)	hypothetical protein	0.0231	0.2741	0.4543
Onchocerca volvulus		0.0052	0.0459	0.0714
Mycobacterium tuberculosis	Probable glutamine synthetase GlnA2 (glutamine synthase) (GS-II)	0.0467	0.5746	1
Echinococcus granulosus	geminin	0.0367	0.4475	0.4948
Brugia malayi	dihydrofolate reductase family protein	0.0053	0.0475	0.0787
Brugia malayi	glutamine synthetase	0.0259	0.3099	0.5137
Echinococcus multilocularis	glutamine synthetase	0.0726	0.9044	0.9044
Onchocerca volvulus		0.0231	0.2741	0.4316
Schistosoma mansoni	cercarial elastase (S01 family)	0.0052	0.0459	0.0508
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0053	0.0475	0.0826
Loa Loa (eye worm)	trypsin family protein	0.0052	0.0459	0.0761
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0016	0.0007	0.0012
Mycobacterium tuberculosis	Probable glutamine synthetase GlnA3 (glutamine synthase) (GS-I)	0.0183	0.2134	0.3714
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0016	0.0007	0.0012
Echinococcus multilocularis	Tolloid protein 1	0.0016	0.0007	0.0007
Mycobacterium tuberculosis	Hypothetical protein	0.0062	0.0587	0.1022
Echinococcus multilocularis	laminin	0.0016	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0259	0.3094	0.5127
Schistosoma mansoni	nuclear hormone receptor	0.0231	0.2741	0.3031
Brugia malayi	tailless protein	0.0231	0.2741	0.4543
Echinococcus granulosus	neuropeptide receptor A26	0.0457	0.5617	0.6211
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0259	0.3094	0.3094
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.049	0.6033	1
Trichomonas vaginalis	set domain proteins, putative	0.0514	0.6342	1
Plasmodium vivax	basic transcription factor 3b, putative	0.0035	0.0241	0.0419
Schistosoma mansoni	nuclear receptor	0.0231	0.2741	0.3031
Wolbachia endosymbiont of Brugia malayi	glutamine synthetase	0.0183	0.2134	0.5
Onchocerca volvulus		0.0052	0.0459	0.0714
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.049	0.6033	0.6033
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0052	0.0459	0.0508
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.049	0.6033	1
Echinococcus granulosus	tissue type plasminogen activator	0.0083	0.0862	0.0953
Trypanosoma cruzi	transcription factor btf3, putative	0.0035	0.0241	0.0267
Onchocerca volvulus		0.0052	0.0459	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0231	0.2741	0.4543
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.049	0.6033	0.6671
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0007	0.0011
Brugia malayi	Calcium binding EGF domain containing protein	0.0016	0.0007	0.0011
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0259	0.3094	0.3421
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0183	0.2127	0.2351
Trichomonas vaginalis	conserved hypothetical protein	0.0062	0.0587	0.0567
Onchocerca volvulus		0.0017	0.002	0.0021
Loa Loa (eye worm)	hypothetical protein	0.049	0.6033	1
Brugia malayi	Nuclear hormone receptor E75	0.0231	0.2741	0.4543
Toxoplasma gondii	hypothetical protein	0.0017	0.002	0.0035
Brugia malayi	hypothetical protein	0.0259	0.3094	0.5127
Onchocerca volvulus		0.0514	0.6342	1
Brugia malayi	Nuclear hormone receptor-like 1	0.049	0.6033	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0007	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0259	0.3094	0.5127
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.049	0.6033	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.049	0.6033	0.9513

Activities

Activity type	Activity value	Assay description	Source	Reference
APTT (functional)	= 0.069 uM	Concentration of inhibitor required to produce a 2-fold prolongation in activated partial Thromboplastin time (APTT) in human plasma	ChEMBL.	7739010
Ki (binding)	= 0.0015 nM	Binding affinity against alpha thrombin	ChEMBL.	7739010
Ki (binding)	= 0.0015 nM	Binding affinity against Trypsin	ChEMBL.	7739010
Ki (binding)	= 0.0042 nM	Binding affinity against Coagulation factor X	ChEMBL.	7739010
Ki (binding)	= 0.0049 nM	Binding affinity against kallikrein	ChEMBL.	7739010
Ki (binding)	= 0.0065 nM	Binding affinity against gamma thrombin	ChEMBL.	7739010
Ki (binding)	= 0.0086 nM	Binding affinity against Urokinase plasminogen activator	ChEMBL.	7739010
Ki (binding)	= 0.01 nM	Binding affinity against plasmin	ChEMBL.	7739010
Ki (binding)	= 0.012 nM	Binding affinity against protein Ca	ChEMBL.	7739010
Ki (binding)	= 0.437 nM	Binding affinity against cathepsin G	ChEMBL.	7739010
Ki (binding)	= 0.848 nM	Binding affinity against Chymotrypsin	ChEMBL.	7739010
Ki (binding)	= 1 nM	Binding affinity against thrombin	ChEMBL.	7739010
Ki (binding)	= 15.8 nM	Binding affinity of the compound towards porcine pancreatic elastase	ChEMBL.	7739010
TT (binding)	= 0.066 uM	Concentration of inhibitor required to produce a 2-fold prolongation in Thrombin time (TT)	ChEMBL.	7739010

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: 155562

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 54151