TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 494.631 | Formula: C30H34N6O
H donors: 1 H acceptors: 1 LogP: 4.57 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCc1nc2c(n1Cc1cccc(c1)c1ccc(cc1)C(=N)N)ccc(c2)OC1CCN(CC1)C(=N)C
InChi: 1S/C30H34N6O/c1-3-29-34-27-18-26(37-25-13-15-35(16-14-25)20(2)31)11-12-28(27)36(29)19-21-5-4-6-24(17-21)22-7-9-23(10-8-22)30(32)33/h4-12,17-18,25,31H,3,13-16,19H2,1-2H3,(H3,32,33)
InChiKey: LCVRBWUCWYMZMG-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	coagulation factor X	Starlite/ChEMBL	References
Homo sapiens	coagulation factor II (thrombin)	Starlite/ChEMBL	References
Homo sapiens	protease, serine, 1 (trypsin 1)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus		Get druggable targets OG5_126639	All targets in OG5_126639
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	Get druggable targets OG5_126639	All targets in OG5_126639
Schistosoma japonicum	ko:K09639 transmembrane protease, serine 8, putative	Get druggable targets OG5_126639	All targets in OG5_126639
Brugia malayi	Trypsin family protein	Get druggable targets OG5_126639	All targets in OG5_126639
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126639	All targets in OG5_126639
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126639	All targets in OG5_126639
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	Get druggable targets OG5_126639	All targets in OG5_126639
Schistosoma japonicum	ko:K09639 transmembrane protease, serine 8, putative	Get druggable targets OG5_126639	All targets in OG5_126639
Onchocerca volvulus		Get druggable targets OG5_126639	All targets in OG5_126639

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Trypsin family protein	protease, serine, 1 (trypsin 1)	247 aa	287 aa	21.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0208	0.0605
Brugia malayi	Trypsin-like protease protein 5	0.0013	0.0143	0.0416
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0136	0.3011	0.8766
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1331	0.3876
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0136	0.3011	0.3011
Echinococcus granulosus	Tolloid protein 1	0.0016	0.0208	0.0208
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0009	0.0009
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0136	0.3011	0.3011
Plasmodium falciparum	histone acetyltransferase GCN5	0.0042	0.0803	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0136	0.3011	0.3011
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0136	0.3011	0.3011
Loa Loa (eye worm)	TK/ROR protein kinase	0.0021	0.0328	0.0954
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0016	0.0208	0.1632
Onchocerca volvulus	Bile acid receptor homolog	0.0136	0.3011	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1331	0.3876
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0143	0.0416
Loa Loa (eye worm)	hypothetical protein	0.012	0.2625	0.7643
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0045	0.0891	0.0891
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0007	0	0.5
Echinococcus multilocularis	ecdysone induced protein 78C	0.0136	0.3011	0.3011
Schistosoma mansoni	nuclear hormone receptor	0.0064	0.1331	0.1331
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0016	0.0208	0.0605
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0136	0.3011	0.8766
Echinococcus granulosus	histone acetyltransferase KAT2B	0.015	0.3334	0.3334
Echinococcus multilocularis	FTZ F1 alpha	0.0136	0.3011	0.3011
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0052	0.0052
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0072	0.1511	0.1511
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0009	0.0009
Giardia lamblia	Histone acetyltransferase GCN5	0.0042	0.0803	0.5
Brugia malayi	Cytochrome P450 family protein	0.0016	0.0209	0.0608
Brugia malayi	hypothetical protein	0.0064	0.1331	0.3876
Brugia malayi	hypothetical protein	0.0072	0.1511	0.4399
Echinococcus granulosus	ecdysone induced protein 78C	0.0136	0.3011	0.3011
Brugia malayi	Kringle domain containing protein	0.0021	0.0328	0.0954
Schistosoma mansoni	cercarial elastase (S01 family)	0.0013	0.0143	0.0143
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0064	0.1331	0.1331
Echinococcus granulosus	cpg binding protein	0.0032	0.0586	0.0586
Brugia malayi	photoreceptor-specific nuclear receptor	0.0136	0.3011	0.8766
Brugia malayi	Trypsin family protein	0.0013	0.0143	0.0416
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0045	0.0891	1
Mycobacterium leprae	putative cytochrome p450	0.0007	0	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0136	0.3011	0.8766
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0064	0.1331	0.1331
Onchocerca volvulus		0.0031	0.0545	0.1403
Echinococcus multilocularis	fibrillin 1	0.0016	0.0208	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0143	0.0416
Onchocerca volvulus		0.0106	0.2313	0.7568
Brugia malayi	nuclear hormone receptor	0.0064	0.1331	0.3876
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0064	0.1331	0.1331
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0136	0.3011	0.3011
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0013	0.0143	0.0143
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0072	0.1511	0.4399
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0007	0	0.5
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0013	0.0143	0.0143
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0136	0.3011	0.3011
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0064	0.1331	0.1331
Schistosoma mansoni	cercarial elastase (S01 family)	0.0013	0.0143	0.0143
Brugia malayi	nuclear receptor RXR	0.0072	0.1511	0.4399
Loa Loa (eye worm)	cytochrome P450 family protein	0.0016	0.0209	0.0608
Brugia malayi	acetyltransferase, GNAT family protein	0.0154	0.3435	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0136	0.3011	0.8766
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0136	0.3011	0.8766
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1511	0.4399
Echinococcus granulosus	transmembrane protease serine 3	0.0013	0.0143	0.0143
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0013	0.0143	0.0143
Brugia malayi	Trypsin family protein	0.012	0.2625	0.7643
Brugia malayi	hypothetical protein	0.0013	0.0143	0.0416
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0136	0.3011	0.3011
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1331	0.3876
Loa Loa (eye worm)	hypothetical protein	0.0136	0.3011	0.8766
Echinococcus granulosus	thyroid hormone receptor alpha	0.0064	0.1331	0.1331
Brugia malayi	nuclear receptor NHR-88	0.0064	0.1331	0.3876
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0136	0.3011	0.3011
Brugia malayi	ecdysteroid receptor	0.0136	0.3011	0.8766
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0009	0.0009
Onchocerca volvulus		0.012	0.2625	0.8655
Loa Loa (eye worm)	hypothetical protein	0.012	0.2625	0.7643
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1331	0.3876
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0007	0	0.5
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.012	0.2625	0.2625
Brugia malayi	Calcium binding EGF domain containing protein	0.0016	0.0208	0.0605
Brugia malayi	conserved hypotetical protein	0.0064	0.1331	0.3876
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0013	0.0143	0.0143
Schistosoma mansoni	thyroid hormone receptor	0.0136	0.3011	0.3011
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0136	0.3011	0.8766
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1331	0.3876
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0064	0.1331	0.1331
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0154	0.3435	0.3435
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0545	0.1588
Loa Loa (eye worm)	hypothetical protein	0.0136	0.3011	0.8766
Brugia malayi	Cytochrome P450 family protein	0.0027	0.0455	0.1324
Schistosoma mansoni	cpg binding protein	0.0032	0.0586	0.0586
Brugia malayi	hypothetical protein	0.0072	0.1511	0.4399
Loa Loa (eye worm)	cytochrome P450 family protein	0.0027	0.0455	0.1324
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0007	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0021	0.0328	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0045	0.0891	0.7003
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0328	0.0954
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0136	0.3011	0.3011
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0016	0.0209	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0013	0.0143	0.0143
Loa Loa (eye worm)	acetyltransferase	0.0154	0.3435	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0136	0.3011	0.8766
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0208	0.0605
Schistosoma mansoni	nuclear receptor	0.0064	0.1331	0.1331
Schistosoma mansoni	hypothetical protein	0.0021	0.0328	0.0328
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0136	0.3011	0.3011
Brugia malayi	Steroid receptor seven-up type 2	0.0136	0.3011	0.8766
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0136	0.3011	0.8766
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0045	0.0891	0.5
Echinococcus multilocularis	laminin	0.0016	0.0208	0.0208
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0136	0.3011	0.8766
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0062	0.1272	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0013	0.0143	0.0143
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0136	0.3011	0.3011
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0064	0.1331	0.4143
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0045	0.0891	0.7003
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0143	0.0416
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1511	0.4399
Brugia malayi	Nuclear hormone receptor-like 1	0.0072	0.1511	0.4399
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1331	0.3876
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0007	0	0.5
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0013	0.0143	0.0143
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0016	0.0208	0.0605
Echinococcus multilocularis	Tolloid protein 1	0.0016	0.0208	0.0208
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0136	0.3011	0.8766
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0007	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0136	0.3011	0.8766
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1331	0.3876
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0064	0.1331	0.3876
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1331	0.3876
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0013	0.0143	0.0143
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0136	0.3011	0.8766
Echinococcus multilocularis	Mastin	0.0013	0.0143	0.0143
Echinococcus granulosus	enteropeptidase	0.0013	0.0143	0.0143
Echinococcus multilocularis	dnaJ subfamily B	0.0436	1	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0208	0.0605
Echinococcus granulosus	nuclear receptor nhr 48	0.0064	0.1331	0.1331
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0007	0	0.5
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0013	0.0143	0.0143
Schistosoma mansoni	nuclear receptor nhr-48	0.0064	0.1331	0.1331
Brugia malayi	ecdysone receptor	0.0064	0.1331	0.3876
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0007	0	0.5
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0064	0.1331	0.1331
Echinococcus granulosus	tissue type plasminogen activator	0.0021	0.0328	0.0328
Brugia malayi	Nuclear hormone receptor-like 1	0.0136	0.3011	0.8766
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0545	0.1588
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1331	0.3876
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0136	0.3011	0.3011
Toxoplasma gondii	kringle domain-containing protein	0.0021	0.0328	0.2576
Schistosoma mansoni	hypothetical protein	0.0013	0.0143	0.0143
Brugia malayi	Protein kinase domain containing protein	0.0021	0.0328	0.0954
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0013	0.0143	0.0143
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0049	0.0144
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0136	0.3011	0.8766
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0136	0.3011	0.8766
Brugia malayi	nuclear hormone receptor family member odr-7	0.0064	0.1331	0.3876
Schistosoma mansoni	cpg binding protein	0.0032	0.0586	0.0586
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0143	0.0416
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0064	0.1331	0.3876
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0016	0.0208	0.0605
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0064	0.1331	0.1331
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0143	0.0416
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0009	0.0009
Schistosoma mansoni	cercarial elastase (S01 family)	0.0013	0.0143	0.0143
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0136	0.3011	0.8766
Schistosoma mansoni	cercarial elastase (S01 family)	0.0013	0.0143	0.0143
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0136	0.3011	0.3011
Schistosoma mansoni	retinoic acid receptor RXR	0.0136	0.3011	0.3011
Trypanosoma cruzi	cytochrome P450, putative	0.0016	0.0209	0.6369
Echinococcus granulosus	FTZ F1 alpha	0.0136	0.3011	0.3011
Brugia malayi	orphan nuclear receptor NR2E1	0.0064	0.1331	0.3876
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0064	0.1331	0.1331
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0136	0.3011	0.8766
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0007	0	0.5
Brugia malayi	Nuclear hormone receptor E75	0.0064	0.1331	0.3876
Echinococcus granulosus	laminin	0.0016	0.0208	0.0208
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0072	0.1511	0.1511
Schistosoma mansoni	hypothetical protein	0.0436	1	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0136	0.3011	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0013	0.0143	0.0143
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.012	0.2625	0.2625
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0136	0.3011	0.3011
Echinococcus multilocularis	enteropeptidase	0.0013	0.0143	0.0143
Echinococcus multilocularis	tissue type plasminogen activator	0.0021	0.0328	0.0328
Brugia malayi	hypothetical protein	0.0064	0.1331	0.3876
Onchocerca volvulus	Arrow homolog	0.0016	0.0208	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0136	0.3011	0.8766
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0136	0.3011	0.8766
Brugia malayi	Nuclear hormone receptor-like 1	0.0072	0.1511	0.4399
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0007	0	0.5
Echinococcus granulosus	glycoprotein Antigen 5	0.0013	0.0143	0.0143
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0064	0.1331	0.3876
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0065	0.1346	0.1346
Schistosoma mansoni	egf-like domain protein	0.0016	0.0208	0.0208
Brugia malayi	tailless protein	0.0064	0.1331	0.3876
Brugia malayi	Fibulin-1 precursor	0.0016	0.0208	0.0605
Schistosoma mansoni	zinc finger protein	0.0064	0.1331	0.1331
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1331	0.3876
Onchocerca volvulus		0.0136	0.3011	1
Schistosoma mansoni	cpg binding protein	0.0031	0.0545	0.0545
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0136	0.3011	0.3011
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0007	0	0.5
Brugia malayi	nuclear hormone receptor	0.0136	0.3011	0.8766
Brugia malayi	nuclear receptor NHR-67	0.0064	0.1331	0.3876
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0136	0.3011	0.3011
Loa Loa (eye worm)	hypothetical protein	0.0136	0.3011	0.8766
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0009	0.0009
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0052	0.0052
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0013	0.0143	0.0143
Brugia malayi	Trypsin family protein	0.0013	0.0143	0.0416
Loa Loa (eye worm)	hypothetical protein	0.0136	0.3011	0.8766
Schistosoma mansoni	cercarial elastase (S01 family)	0.0013	0.0143	0.0143
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0136	0.3011	0.8766
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1511	0.4399
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0136	0.3011	0.8766
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0064	0.1331	0.1331
Trypanosoma cruzi	cytochrome P450, putative	0.0016	0.0209	0.6369
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0007	0	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0007	0	0.5
Leishmania major	hypothetical protein, conserved	0.0021	0.0328	1
Trypanosoma brucei	cytochrome P450, putative	0.0016	0.0209	1
Loa Loa (eye worm)	DR-78	0.0064	0.1331	0.3876
Schistosoma mansoni	nuclear hormone receptor	0.0064	0.1331	0.1331
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0072	0.1511	0.1511
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0136	0.3011	0.3011
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0064	0.1331	0.1331
Loa Loa (eye worm)	nuclear hormone receptor	0.0064	0.1331	0.3876
Onchocerca volvulus	Protein ultraspiracle homolog	0.0136	0.3011	1
Loa Loa (eye worm)	trypsin family protein	0.0013	0.0143	0.0416
Brugia malayi	Cytochrome P450 family protein	0.0016	0.0209	0.0608
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0016	0.0208	0.1632
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0154	0.3435	0.3435
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0136	0.3011	0.3011
Loa Loa (eye worm)	cytochrome P450 family protein	0.0016	0.0209	0.0608
Brugia malayi	nuclear receptor NHR-88	0.0136	0.3011	0.8766
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0045	0.0891	0.5
Schistosoma mansoni	coup transcription factor	0.0136	0.3011	0.3011
Loa Loa (eye worm)	hypothetical protein	0.0136	0.3011	0.8766
Onchocerca volvulus		0.0064	0.1331	0.4143
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0007	0	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.0013	0.0143	0.0143
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0064	0.1331	0.3876
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0136	0.3011	0.3011
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0136	0.3011	0.8766
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0007	0	0.5
Echinococcus multilocularis	cpg binding protein	0.0032	0.0586	0.0586
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0007	0	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0136	0.3011	0.3011
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0016	0.0208	0.0605
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0136	0.3011	0.3011
Brugia malayi	Trypsin family protein	0.0013	0.0143	0.0416
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0072	0.1511	0.1511
Onchocerca volvulus		0.0064	0.1331	0.4143
Echinococcus multilocularis	glycoprotein Antigen 5	0.0013	0.0143	0.0143
Brugia malayi	Nuclear hormone receptor E75	0.0064	0.1331	0.3876
Schistosoma mansoni	nuclear hormone receptor	0.0136	0.3011	0.3011
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0208	0.0605
Schistosoma mansoni	RAR-like nuclear receptor	0.0136	0.3011	0.3011
Loa Loa (eye worm)	CYP4Cod1	0.0016	0.0209	0.0608
Leishmania major	cytochrome p450-like protein	0.0016	0.0209	0.6369
Loa Loa (eye worm)	hypothetical protein	0.0009	0.004	0.0117
Echinococcus granulosus	Mastin	0.0013	0.0143	0.0143
Entamoeba histolytica	acetyltransferase, GNAT family	0.0042	0.0803	0.5
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0013	0.0143	0.0416
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0052	0.0152
Schistosoma mansoni	nuclear receptor	0.0064	0.1331	0.1331
Onchocerca volvulus		0.0021	0.0328	0.0645
Brugia malayi	steroid hormone receptor	0.0136	0.3011	0.8766
Echinococcus multilocularis	transmembrane protease serine 3	0.0013	0.0143	0.0143
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0136	0.3011	0.3011
Schistosoma mansoni	hypothetical protein	0.0013	0.0143	0.0143
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1331	0.3876
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1331	0.3876
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1331	0.3876
Loa Loa (eye worm)	hypothetical protein	0.0136	0.3011	0.8766
Schistosoma mansoni	cercarial elastase (S01 family)	0.0013	0.0143	0.0143
Mycobacterium leprae	Conserved hypothetical protein	0.0007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1511	0.4399
Mycobacterium ulcerans	hypothetical protein	0.0013	0.0143	0.6846
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0136	0.3011	0.8766
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1511	0.4399
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0136	0.3011	0.8766
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0016	0.0208	0.0208
Echinococcus multilocularis	nuclear receptor nhr 48	0.0064	0.1331	0.1331
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0064	0.1331	0.1331
Schistosoma mansoni	cercarial elastase (S01 family)	0.0013	0.0143	0.0143
Brugia malayi	nuclear receptor RXR	0.0064	0.1331	0.3876
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0064	0.1331	0.4143
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0208	0.0605
Schistosoma mansoni	cercarial elastase (S01 family)	0.0013	0.0143	0.0143

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 260 nM	Tested in vitro for the inhibitory potency against Coagulation factor Xa	ChEMBL.	11965378
Ki (binding)	= 260 nM	Tested in vitro for the inhibitory potency against Coagulation factor Xa	ChEMBL.	11965378
Ki (binding)	= 690 nM	Tested in vitro for the selectivity against trypsin (Trp)	ChEMBL.	11965378
Ki (binding)	= 690 nM	Tested in vitro for the selectivity against trypsin (Trp)	ChEMBL.	11965378
Ki (binding)	> 5000 nM	Tested in vitro for the selectivity against thrombin (IIa)	ChEMBL.	11965378
Ki (binding)	> 5000 nM	Tested in vitro for the selectivity against thrombin (IIa)	ChEMBL.	11965378

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: CHEMBL25698

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 32297