TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 588.676 | Formula: C27H36N6O7S
H donors: 6 H acceptors: 7 LogP: 0.46 Rotable bonds: 18
Rule of 5 violations (Lipinski): 3
SMILES: CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)NCc1ccc(cc1)C(=N)N)CCC(=O)N)NS(=O)(=O)Cc1ccc(cc1)C(=O)O)C
InChi: 1S/C27H36N6O7S/c1-3-16(2)23(33-41(39,40)15-18-6-10-20(11-7-18)27(37)38)26(36)32-21(12-13-22(28)34)25(35)31-14-17-4-8-19(9-5-17)24(29)30/h4-11,16,21,23,33H,3,12-15H2,1-2H3,(H2,28,34)(H3,29,30)(H,31,35)(H,32,36)(H,37,38)/t16-,21-,23-/m0/s1
InChiKey: FWOXSVVFODBOGQ-YROCYRMSSA-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 II (thrombin)	Starlite/ChEMBL	References
Homo sapiens	coagulation factor X	Starlite/ChEMBL	References
Homo sapiens	coagulation factor XI	Starlite/ChEMBL	References
Homo sapiens	coagulation factor VII (serum prothrombin conversion accelerator)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Toxoplasma gondii	PAN domain-containing protein	Get druggable targets OG5_134971	All targets in OG5_134971
Neospora caninum	hypothetical protein	Get druggable targets OG5_134971	All targets in OG5_134971
Neospora caninum	hypothetical protein	Get druggable targets OG5_134971	All targets in OG5_134971
Neospora caninum	hypothetical protein	Get druggable targets OG5_134971	All targets in OG5_134971
Toxoplasma gondii	PAN domain-containing protein	Get druggable targets OG5_134971	All targets in OG5_134971

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	glycoprotein Antigen 5	coagulation factor VII (serum prothrombin conversion accelerator)	466 aa	384 aa	23.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0085	0.0598
Echinococcus granulosus	lipoxygenase domain containing protein	0.0023	0.0087	0.0213
Schistosoma mansoni	hypothetical protein	0.0015	0.0004	0.001
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0187	0.2465
Brugia malayi	hypothetical protein	0.0023	0.0087	0.0615
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0369	0.5083
Trichomonas vaginalis	chromobox protein, putative	0.0049	0.0367	0.5041
Onchocerca volvulus		0.0023	0.0085	0.0516
Toxoplasma gondii	PAN domain-containing protein	0.0023	0.0085	0.02
Schistosoma mansoni	polycystin 1-related	0.0023	0.0087	0.0213
Schistosoma mansoni	hypothetical protein	0.0399	0.4096	1
Schistosoma mansoni	cpg binding protein	0.003	0.0156	0.0381
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0087	0.0615
Toxoplasma gondii	PAN domain-containing protein	0.0023	0.0085	0.02
Mycobacterium ulcerans	hypothetical protein	0.0155	0.1495	0.5
Echinococcus granulosus	sterol regulatory element binding protein	0.005	0.0369	0.0902
Schistosoma mansoni	hypothetical protein	0.0015	0.0004	0.001
Toxoplasma gondii	PAN/Apple domain-containing protein	0.0023	0.0085	0.02
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0004	0.0004
Schistosoma mansoni	hypothetical protein	0.0048	0.035	0.0855
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0016	0.0012	0.003
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0103	0.0728
Onchocerca volvulus		0.0023	0.0085	0.0516
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.002	0.0051	0.052
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0004	0.003
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0016	0.0012	0.0086
Onchocerca volvulus		0.0023	0.0085	0.0516
Brugia malayi	MH2 domain containing protein	0.0116	0.1082	0.7637
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0282	0.0737
Echinococcus multilocularis	fibrillin 1	0.0016	0.0012	0.0012
Brugia malayi	PAN domain containing protein	0.0023	0.0085	0.0598
Onchocerca volvulus		0.0023	0.0085	0.0516
Brugia malayi	hypothetical protein	0.0025	0.0103	0.0728
Brugia malayi	CHE-14 protein	0.005	0.0369	0.2607
Loa Loa (eye worm)	TK/ROR protein kinase	0.0021	0.0067	0.0473
Loa Loa (eye worm)	hypothetical protein	0.005	0.0369	0.2607
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0329	0.2325
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.002	0.0051	0.052
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0329	0.451
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.002	0.0051	0.052
Toxoplasma gondii	microneme protein MIC17B	0.0023	0.0085	0.02
Brugia malayi	PAN domain containing protein	0.0023	0.0085	0.0598
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.0474	0.1157
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0295	0.2982	1
Trichomonas vaginalis	chromobox protein, putative	0.0082	0.0713	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0116	0.1074	0.1074
Toxoplasma gondii	kringle domain-containing protein	0.0021	0.0067	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0012	0.0086
Brugia malayi	Protein kinase domain containing protein	0.0021	0.0067	0.0473
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0139	0.098
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0195	0.1374
Echinococcus granulosus	tissue type plasminogen activator	0.0021	0.0067	0.0164
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0295	0.2982	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0359	0.2532
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0016	0.0012	0.0086
Trichomonas vaginalis	chromobox protein, putative	0.0049	0.0367	0.5041
Schistosoma mansoni	hypothetical protein	0.0021	0.0067	0.0164
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0103	1
Brugia malayi	PAN domain containing protein	0.0023	0.0085	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0085	0.0598
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0085	0.0598
Schistosoma mansoni	hypothetical protein	0.0023	0.0087	0.0213
Plasmodium falciparum	LCCL domain-containing protein	0.0023	0.0087	0.5559
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0155	0.1495	0.5
Echinococcus multilocularis	Niemann Pick C1 protein	0.0165	0.1603	0.1603
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.1082	0.7637
Brugia malayi	Calcium binding EGF domain containing protein	0.0016	0.0012	0.0086
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.002	0.0051	0.052
Brugia malayi	Kringle domain containing protein	0.0021	0.0067	0.0473
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0195	0.1374
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0139	0.1318	0.3217
Echinococcus granulosus	GPCR family 2	0.0015	0.0004	0.001
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0012	0.0086
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0282	0.0737
Schistosoma mansoni	lipoxygenase	0.0097	0.0873	0.2132
Brugia malayi	hypothetical protein	0.0016	0.001	0.007
Echinococcus granulosus	expressed conserved protein	0.0109	0.0999	0.2439
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0016	0.0012	0.0086
Echinococcus multilocularis	protein dispatched 1	0.0057	0.0444	0.0444
Toxoplasma gondii	microneme protein MIC17C	0.0023	0.0085	0.02
Brugia malayi	Heterochromatin protein 1	0.0082	0.0713	0.5032
Echinococcus multilocularis	expressed conserved protein	0.0109	0.0999	0.0999
Loa Loa (eye worm)	hypothetical protein	0.0116	0.1074	0.7576
Echinococcus granulosus	lipoxygenase domain containing protein	0.0023	0.0087	0.0213
Onchocerca volvulus		0.0021	0.0067	0.0391
Onchocerca volvulus		0.0023	0.0087	0.0534
Brugia malayi	PAN domain containing protein	0.0023	0.0085	0.0598
Onchocerca volvulus		0.0023	0.0085	0.0516
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0383	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0224	0.1579
Toxoplasma gondii	subtilisin SUB12	0.0023	0.0085	0.02
Echinococcus granulosus	Niemann Pick C1 protein	0.0116	0.1074	0.2621
Plasmodium vivax	multidomain scavenger receptor, putative	0.0023	0.0087	0.5559
Onchocerca volvulus		0.0148	0.1417	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0087	0.0615
Toxoplasma gondii	hypothetical protein	0.0048	0.0347	0.0923
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0103	0.0251
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.002	0.0051	0.052
Brugia malayi	Doublecortin family protein	0.0023	0.0087	0.0615
Schistosoma mansoni	cpg binding protein	0.003	0.0156	0.0381
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0012	0.0086
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0103	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0004	0.003
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0004	0.001
Echinococcus multilocularis	protein patched	0.005	0.0369	0.0369
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0139	0.1318	0.1318
Echinococcus granulosus	Niemann Pick C1 protein	0.0165	0.1603	0.3914
Toxoplasma gondii	microneme protein, putative	0.0023	0.0085	0.02
Onchocerca volvulus		0.0023	0.0085	0.0516
Schistosoma mansoni	egf-like domain protein	0.0016	0.0012	0.003
Loa Loa (eye worm)	PAN domain-containing protein	0.0023	0.0085	0.0598
Echinococcus granulosus	dnaJ subfamily B	0.0399	0.4096	1
Echinococcus multilocularis	Tolloid protein 1	0.0016	0.0012	0.0012
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0049	0.0367	0.2523
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.0383	0.2706
Echinococcus multilocularis	sterol regulatory element binding protein	0.005	0.0369	0.0369
Echinococcus multilocularis	chromobox protein 1	0.0082	0.0713	0.0713
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0383	0.0936
Schistosoma mansoni	hypothetical protein	0.0015	0.0004	0.001
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0012	0.0086
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0023	0.0087	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1417	1
Schistosoma mansoni	hypothetical protein	0.0048	0.035	0.0855
Onchocerca volvulus		0.0023	0.0085	0.0516
Schistosoma mansoni	hypothetical protein	0.0048	0.035	0.0855
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.1082	0.7637
Brugia malayi	PAN domain containing protein	0.0023	0.0085	0.0598
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.005	0.0369	0.2607
Toxoplasma gondii	PAN domain-containing protein	0.0356	0.3641	1
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0329	0.451
Echinococcus multilocularis	tissue type plasminogen activator	0.0021	0.0067	0.0067
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0383	0.0936
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0085	0.0598
Toxoplasma gondii	hypothetical protein	0.0023	0.0085	0.02
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0383	0.0936
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0023	0.0087	0.0087
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0383	0.0936
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0187	0.2465
Brugia malayi	PAN domain containing protein	0.0023	0.0085	0.0598
Brugia malayi	PAN domain containing protein	0.0023	0.0085	0.0598
Brugia malayi	chromobox protein homolog 3	0.0046	0.0329	0.2325
Echinococcus granulosus	RUN	0.0023	0.0087	0.0213
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0017	0.0019	0.0071
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0139	0.1327	0.4323
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0103	0.0124
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0041	0.0282	0.0621
Onchocerca volvulus		0.0023	0.0085	0.0516
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.002	0.0051	0.052
Schistosoma mansoni	chromobox protein	0.0082	0.0713	0.1741
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0103	0.0124
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0041	0.0282	0.0737
Brugia malayi	hypothetical protein	0.0148	0.1417	1
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0116	0.1074	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0004	0.003
Brugia malayi	Fibulin-1 precursor	0.0016	0.0012	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0085	0.0598
Onchocerca volvulus		0.0023	0.0085	0.0516
Toxoplasma gondii	hypothetical protein	0.0023	0.0085	0.02
Echinococcus granulosus	chromobox protein 1	0.0082	0.0713	0.1741
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0004	0.0004
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.002	0.0051	0.052
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0016	0.0012	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0085	0.0598
Schistosoma mansoni	hypothetical protein	0.0015	0.0004	0.001
Schistosoma mansoni	cpg binding protein	0.0028	0.0139	0.0339
Loa Loa (eye worm)	PAN domain-containing protein	0.0023	0.0085	0.0598
Echinococcus granulosus	Tolloid protein 1	0.0016	0.0012	0.003
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0489	0.3448
Schistosoma mansoni	rab6-interacting	0.0023	0.0087	0.0213
Echinococcus multilocularis	cpg binding protein	0.003	0.0156	0.0156
Schistosoma mansoni	hypothetical protein	0.0033	0.0195	0.0475
Schistosoma mansoni	chromobox protein	0.0082	0.0713	0.1741
Toxoplasma gondii	PAN domain-containing protein	0.0023	0.0085	0.02
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0139	0.1327	0.4251
Leishmania major	hypothetical protein, conserved	0.0025	0.0103	0.0124
Loa Loa (eye worm)	PAN domain-containing protein	0.0023	0.0085	0.0598
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0383	0.0936
Onchocerca volvulus		0.0023	0.0087	0.0534
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0295	0.2982	1
Schistosoma mansoni	rab6-interacting	0.0023	0.0087	0.0213
Schistosoma mansoni	loxhd1	0.0023	0.0087	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0004	0.003
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0067	0.0473
Schistosoma mansoni	lipoxygenase	0.0139	0.1318	0.3217
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0117	0.1093	0.2668
Echinococcus granulosus	Polycystic kidney disease protein	0.0023	0.0087	0.0213
Onchocerca volvulus		0.0023	0.0085	0.0516
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.0406	0.1086
Loa Loa (eye worm)	doublecortin family protein	0.0023	0.0087	0.0615
Toxoplasma gondii	microneme protein MIC17A	0.0023	0.0085	0.02
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0103	1
Schistosoma mansoni	hypothetical protein	0.0048	0.035	0.0855
Brugia malayi	PAN domain containing protein	0.0023	0.0085	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0359	0.2532
Brugia malayi	PAN domain containing protein	0.0023	0.0085	0.0598
Echinococcus multilocularis	RUN	0.0023	0.0087	0.0087
Toxoplasma gondii	microneme protein MIC4	0.0023	0.0085	0.02
Toxoplasma gondii	PAN domain-containing protein	0.0356	0.3641	1
Loa Loa (eye worm)	PAN domain-containing protein	0.0023	0.0085	0.0598
Brugia malayi	Niemann-Pick C1 protein precursor	0.0116	0.1074	0.7576
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0139	0.098
Loa Loa (eye worm)	heterochromatin protein 1	0.0082	0.0713	0.5032
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.002	0.0051	0.052
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0046	0.0329	0.2258
Echinococcus granulosus	Protein patched homolog 1	0.005	0.0369	0.0902
Echinococcus multilocularis	laminin	0.0016	0.0012	0.0012
Onchocerca volvulus		0.0036	0.0224	0.1506
Brugia malayi	PAN domain containing protein	0.0023	0.0085	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0085	0.0598
Echinococcus granulosus	chromobox protein 1	0.0082	0.0713	0.1741
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0139	0.1327	0.4323
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0019	0.0071
Echinococcus multilocularis	chromobox protein 1	0.0082	0.0713	0.0713
Brugia malayi	hypothetical protein	0.0023	0.0087	0.0615
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.005	0.0379	0.1069
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0004	0.001
Echinococcus granulosus	cpg binding protein	0.003	0.0156	0.0381
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0359	0.2532
Onchocerca volvulus		0.0028	0.0139	0.0902
Trichomonas vaginalis	chromobox protein, putative	0.0082	0.0713	1
Toxoplasma gondii	PAN domain-containing protein	0.0023	0.0085	0.02
Toxoplasma gondii	1,3(4)-beta-glucanase	0.0023	0.0085	0.02
Echinococcus granulosus	laminin	0.0016	0.0012	0.003
Loa Loa (eye worm)	PAN domain-containing protein	0.0023	0.0085	0.0598
Schistosoma mansoni	patched 1	0.005	0.0369	0.0902
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0012	0.0086
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.0383	0.2706
Echinococcus multilocularis	Polycystic kidney disease protein	0.0023	0.0087	0.0087
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0359	0.2532
Leishmania major	mitochondrial DNA polymerase beta	0.0295	0.2982	1
Onchocerca volvulus		0.0023	0.0085	0.0516
Echinococcus multilocularis	dnaJ subfamily B	0.0399	0.4096	0.4096

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)		Inhibition of human factor 9a	ChEMBL.	18674905
Ki (binding)		Inhibition of human factor 12a	ChEMBL.	18674905
Ki (binding)	= 17 nM	Inhibition of human factor 11a	ChEMBL.	18674905
Ki (binding)	= 35 nM	Inhibition of human factor 7a-tissue factor complex	ChEMBL.	18674905
Ki (binding)	= 680 nM	Inhibition of human thrombin	ChEMBL.	18674905
Ki (binding)	= 2483 nM	Inhibition of human factor 10a	ChEMBL.	18674905

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: CHEMBL506501

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 1001963