TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 549.451 | Formula: C28H26Cl2N6O2
H donors: 3 H acceptors: 2 LogP: 4.15 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: O=C(Cn1c(c2ccccc2)c(Cl)nc(c1=O)NCCc1ccccc1Cl)NCc1ccc(cc1)C(=N)N
InChi: 1S/C28H26Cl2N6O2/c29-22-9-5-4-6-19(22)14-15-33-27-28(38)36(24(25(30)35-27)20-7-2-1-3-8-20)17-23(37)34-16-18-10-12-21(13-11-18)26(31)32/h1-13H,14-17H2,(H3,31,32)(H,33,35)(H,34,37)
InChiKey: MAOAARIQBMMVDV-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 II (thrombin)	Starlite/ChEMBL	References
Homo sapiens	coagulation factor III (thromboplastin, tissue factor)		References
Homo sapiens	Coagulation factor VII/tissue factor	Starlite/ChEMBL	References
Homo sapiens	coagulation factor VII (serum prothrombin conversion accelerator)		References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Brugia malayi	jmjC domain containing protein	0.0033	0.1127	0.1348
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0014	0.0302	0.0285
Schistosoma mansoni	jumonji domain containing protein	0.0026	0.0834	0.0818
Toxoplasma gondii	melibiase subfamily protein	0.0023	0.0685	0.6461
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0011	0.0177	0.0211
Leishmania major	ATPase beta subunit, putative	0.001	0.0116	0.0956
Echinococcus granulosus	lysine specific demethylase 5A	0.0012	0.0228	0.0211
Plasmodium vivax	hypothetical protein, conserved	0.001	0.0137	0.0849
Brugia malayi	Delta serrate ligand family protein	0.0014	0.0302	0.0362
Onchocerca volvulus	Slit protein homolog	0.0014	0.0302	0.0291
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.001	0.012	0.0103
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0021	0.0608	1
Echinococcus multilocularis	transcription factor Dp 1	0.0008	0.0068	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0302	0.0362
Trichomonas vaginalis	ATP synthase alpha subunit mitochondrial, putative	0.0031	0.105	1
Loa Loa (eye worm)	doublecortin family protein	0.004	0.1423	0.1703
Schistosoma mansoni	notch	0.0014	0.0302	0.0285
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.001	0.012	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0302	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0302	0.0362
Schistosoma mansoni	survival motor neuron protein	0.0011	0.0177	0.016
Leishmania major	ATPase alpha subunit	0.0009	0.0098	0.0777
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0302	0.0362
Echinococcus multilocularis	ATP synthase subunit alpha, mitochondrial	0.0015	0.0335	0.0318
Echinococcus multilocularis	neurogenic locus notch protein	0.0014	0.0302	0.0285
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0012	0.0228	0.0211
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0015	0.0335	0.3076
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0302	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0302	0.0362
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0012	0.0228	0.0211
Giardia lamblia	PHD finger protein 15	0.001	0.0137	0.1155
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0014	0.0302	0.0285
Echinococcus granulosus	Polycystic kidney disease protein	0.004	0.1423	0.1408
Schistosoma mansoni	hypothetical protein	0.001	0.012	0.0103
Schistosoma mansoni	cercarial elastase (S01 family)	0.001	0.012	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0302	0.0362
Onchocerca volvulus		0.004	0.1423	0.2081
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0018	0.05	0.0483
Brugia malayi	hypothetical protein	0.004	0.1423	0.1703
Trypanosoma brucei	V-type proton ATPase subunit a, putative	0.0007	0.0018	0.0167
Onchocerca volvulus		0.0014	0.0302	0.0291
Toxoplasma gondii	PHD-finger domain-containing protein	0.001	0.0137	0.1155
Echinococcus multilocularis	jumonji domain containing protein	0.0014	0.0307	0.029
Brugia malayi	Kringle domain containing protein	0.0021	0.0625	0.0747
Brugia malayi	EGF-like domain containing protein	0.0014	0.0302	0.0362
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0021	0.0608	0.0592
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0021	0.0625	0.4319
Echinococcus granulosus	survival motor neuron protein 1	0.0054	0.2031	0.2017
Onchocerca volvulus		0.0154	0.6381	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0021	0.0608	0.0592
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0302	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.012	0.0144
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0015	0.0357	0.034
Leishmania major	vacuolar ATP synthase catalytic subunit A, putative	0.001	0.0116	0.0956
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0018	0.05	0.0483
Brugia malayi	PHD-finger family protein	0.001	0.0137	0.0164
Schistosoma mansoni	rab6-interacting	0.004	0.1423	0.1408
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0015	0.0335	0.0401
Onchocerca volvulus		0.0014	0.0302	0.0291
Echinococcus multilocularis	lysine specific demethylase 5A	0.0012	0.0228	0.0211
Toxoplasma gondii	ATP synthase beta subunit ATP-B	0.001	0.0116	0.0956
Brugia malayi	Muscle positioning protein 4	0.0014	0.0302	0.0362
Onchocerca volvulus	Putative cubilin	0.0014	0.0302	0.0291
Schistosoma mansoni	cercarial elastase (S01 family)	0.001	0.012	0.0103
Schistosoma mansoni	hypothetical protein	0.0014	0.0302	0.0285
Loa Loa (eye worm)	vacuolar ATP synthase subunit B	0.0031	0.105	0.1256
Schistosoma mansoni	lipoxygenase	0.0237	1	1
Brugia malayi	EGF-like domain containing protein	0.0014	0.0302	0.0362
Loa Loa (eye worm)	Notch2	0.0014	0.0302	0.0362
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0023	0.0685	0.0668
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0015	0.0335	0.0318
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0015	0.0357	0.3289
Echinococcus multilocularis	protein jagged 1	0.0014	0.0302	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0302	0.0362
Trypanosoma brucei	DNA polymerase IV, putative	0.0008	0.0032	0.0309
Giardia lamblia	Vacuolar ATP synthase subunit B	0.0031	0.105	1
Schistosoma mansoni	septate junction protein	0.0014	0.0302	0.0285
Schistosoma mansoni	lipoxygenase	0.0166	0.6901	0.6896
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0033	0.1127	0.1111
Plasmodium falciparum	cysteine repeat modular protein 1	0.0021	0.0625	0.4319
Trypanosoma brucei	ATP synthase F1, alpha subunit	0.0009	0.0098	0.0931
Echinococcus granulosus	protein jagged 2	0.0014	0.0302	0.0285
Echinococcus multilocularis	ATP synthase subunit beta, mitochondrial	0.001	0.0116	0.0099
Echinococcus multilocularis	PHD finger protein rhinoceros	0.001	0.0137	0.012
Schistosoma mansoni	cercarial elastase (S01 family)	0.001	0.012	0.0103
Onchocerca volvulus		0.0014	0.0302	0.0291
Echinococcus granulosus	lipoxygenase domain containing protein	0.004	0.1423	0.1408
Loa Loa (eye worm)	hypothetical protein	0.001	0.012	0.0144
Mycobacterium ulcerans	F0F1 ATP synthase subunit alpha	0.0015	0.0335	0.4667
Brugia malayi	EGF-like domain containing protein	0.0014	0.0302	0.0362
Trypanosoma brucei	DNA polymerase kappa, putative	0.0009	0.0096	0.0912
Trypanosoma cruzi	ATP synthase subunit beta, mitochondrial, putative	0.001	0.0116	0.0956
Loa Loa (eye worm)	hypothetical protein	0.001	0.012	0.0144
Brugia malayi	jmjC domain containing protein	0.0012	0.0228	0.0273
Echinococcus granulosus	protein jagged 1	0.0014	0.0302	0.0285
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.001	0.012	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0018	0.05	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0302	0.0362
Schistosoma mansoni	hypothetical protein	0.0014	0.0302	0.0285
Echinococcus granulosus	peregrin	0.001	0.0137	0.012
Brugia malayi	Trypsin family protein	0.001	0.012	0.0144
Trypanosoma cruzi	V-type ATPase, A subunit, putative	0.001	0.0116	0.0956
Echinococcus multilocularis	RUN	0.004	0.1423	0.1408
Toxoplasma gondii	vacuolar ATP synthase subunit b, putative	0.0031	0.105	1
Trypanosoma brucei	Vacuolar proton pump subunit B, putative	0.0031	0.105	1
Echinococcus multilocularis	peregrin	0.001	0.0137	0.012
Brugia malayi	Trypsin-like protease protein 5	0.001	0.012	0.0144
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0009	0.0096	0.0758
Leishmania major	ATPase beta subunit, putative	0.001	0.0116	0.0956
Schistosoma mansoni	laminin gamma-3 chain	0.0014	0.0302	0.0285
Echinococcus granulosus	ATPase H transporting lysosomal accessory	0.02	0.836	0.8357
Trypanosoma brucei	DNA polymerase kappa, putative	0.0009	0.0096	0.0912
Onchocerca volvulus		0.004	0.1423	0.2081
Echinococcus multilocularis	tissue type plasminogen activator	0.0021	0.0625	0.0608
Schistosoma mansoni	hypothetical protein	0.0014	0.0302	0.0285
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.001	0.012	0.0103
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0021	0.0608	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0014	0.0302	0.0362
Echinococcus granulosus	dna polymerase kappa	0.0009	0.0096	0.0078
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.001	0.012	0.0103
Schistosoma mansoni	notch	0.0014	0.0302	0.0285
Loa Loa (eye worm)	V-type ATPase 116kDa subunit family protein	0.0007	0.0018	0.0021
Leishmania major	hypothetical protein, conserved	0.0021	0.0625	0.588
Brugia malayi	Calcium binding EGF domain containing protein	0.0014	0.0302	0.0362
Chlamydia trachomatis	V-type ATP synthase subunit B	0.0031	0.105	1
Loa Loa (eye worm)	PHD-finger family protein	0.001	0.0137	0.0164
Plasmodium falciparum	ATP synthase F1, alpha subunit	0.0015	0.0335	0.2257
Echinococcus granulosus	protein jagged 1	0.0014	0.0302	0.0285
Loa Loa (eye worm)	jmjC domain-containing protein	0.0021	0.06	0.0718
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0021	0.0608	1
Wolbachia endosymbiont of Brugia malayi	ATP synthase F0F1 subunit alpha	0.0015	0.0335	1
Echinococcus granulosus	geminin	0.0058	0.2231	0.2217
Schistosoma mansoni	hypothetical protein	0.004	0.1423	0.1408
Schistosoma mansoni	thyroid hormone receptor	0.0032	0.1104	0.1088
Plasmodium vivax	ATP synthase subunit beta, mitochondrial, putative	0.001	0.0116	0.0702
Schistosoma mansoni	cercarial elastase (S01 family)	0.001	0.012	0.0103
Trichomonas vaginalis	ATP synthase, putative	0.0031	0.105	1
Schistosoma mansoni	notch	0.0014	0.0302	0.0285
Schistosoma mansoni	notch	0.0014	0.0302	0.0285
Brugia malayi	Protein kinase domain containing protein	0.0021	0.0625	0.0747
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0184	0.769	0.7686
Trypanosoma brucei	ATP synthase F1, alpha subunit	0.0009	0.0098	0.0931
Schistosoma mansoni	cercarial elastase (S01 family)	0.001	0.012	0.0103
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0014	0.0302	0.0285
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0009	0.0096	0.0758
Schistosoma mansoni	hypothetical protein	0.0014	0.0302	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0302	0.0362
Echinococcus granulosus	PHD finger protein rhinoceros	0.001	0.0137	0.012
Brugia malayi	EGF-like domain containing protein	0.0014	0.0302	0.0362
Brugia malayi	hypothetical protein	0.0054	0.2031	0.243
Echinococcus granulosus	ATP synthase subunit beta mitochondrial	0.001	0.0116	0.0099
Echinococcus multilocularis	transmembrane protease serine 3	0.001	0.012	0.0103
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0023	0.0685	0.0668
Echinococcus granulosus	transmembrane protease serine 3	0.001	0.012	0.0103
Plasmodium falciparum	phd finger protein, putative	0.001	0.0137	0.0849
Brugia malayi	V-type ATPase 116kDa subunit family protein	0.0007	0.0018	0.0021
Leishmania major	vacuolar ATP synthase subunit b, putative	0.0031	0.105	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0237	1	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0023	0.0685	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0302	0.0362
Schistosoma mansoni	slit	0.0014	0.0302	0.0285
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0018	0.05	0.0598
Onchocerca volvulus	ATP synthase subunit alpha, mitochondrial homolog	0.0015	0.0335	0.0343
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0015	0.0335	0.3076
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0009	0.0096	0.0758
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0018	0.0021
Schistosoma mansoni	hypothetical protein	0.001	0.0137	0.012
Loa Loa (eye worm)	notch protein	0.0014	0.0302	0.0362
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.001	0.0137	0.012
Entamoeba histolytica	V-type ATPase, B subunit, putative	0.0031	0.105	1
Brugia malayi	vacuolar proton pump	0.0007	0.0018	0.0021
Echinococcus multilocularis	enteropeptidase	0.001	0.012	0.0103
Treponema pallidum	V-type ATP synthase subunit B	0.0031	0.105	1
Plasmodium falciparum	V-type proton ATPase subunit B	0.0031	0.105	0.7346
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0302	0.0362
Brugia malayi	ATP synthase alpha chain, mitochondrial precursor, putative	0.0015	0.0335	0.0401
Loa Loa (eye worm)	hypothetical protein	0.004	0.1423	0.1703
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0015	0.0335	0.0318
Schistosoma mansoni	thyroid hormone receptor	0.0032	0.1104	0.1088
Toxoplasma gondii	vacuolar ATP synthase subunit A, putative	0.001	0.0116	0.0956
Onchocerca volvulus		0.0018	0.05	0.0606
Schistosoma mansoni	hypothetical protein	0.001	0.012	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2031	0.243
Echinococcus granulosus	notch	0.0014	0.0302	0.0285
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0023	0.0685	0.0668
Echinococcus multilocularis	Polycystic kidney disease protein	0.004	0.1423	0.1408
Loa Loa (eye worm)	vacuolar H ATPase family member	0.001	0.0116	0.0139
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.001	0.012	0.0144
Echinococcus multilocularis	lipoxygenase domain containing protein	0.004	0.1423	0.1408
Brugia malayi	Trypsin family protein	0.001	0.012	0.0144
Echinococcus multilocularis	Mastin	0.001	0.012	0.0103
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0028	0.091	0.0894
Onchocerca volvulus		0.0014	0.0302	0.0291
Echinococcus granulosus	delta-like protein 1	0.0014	0.0302	0.0285
Echinococcus granulosus	tissue type plasminogen activator	0.0021	0.0625	0.0608
Schistosoma mansoni	cell polarity protein	0.0014	0.0302	0.0285
Mycobacterium ulcerans	F0F1 ATP synthase subunit beta	0.001	0.0116	0.04
Echinococcus multilocularis	survival motor neuron protein 1	0.0054	0.2031	0.2017
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0014	0.0302	0.0291
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0028	0.091	0.0894
Leishmania major	ATPase alpha subunit	0.0009	0.0098	0.0777
Schistosoma mansoni	cercarial elastase (S01 family)	0.001	0.012	0.0103
Brugia malayi	EGF-like domain containing protein	0.0014	0.0302	0.0362
Brugia malayi	notch-like transmembrane receptor	0.0014	0.0302	0.0362
Brugia malayi	Bromodomain containing protein	0.001	0.0137	0.0164
Echinococcus granulosus	neurogenic locus protein delta	0.0014	0.0302	0.0285
Brugia malayi	ATP synthase beta chain, mitochondrial precursor, putative	0.001	0.0116	0.0139
Toxoplasma gondii	EGF family domain-containing protein	0.0014	0.0302	0.2758
Echinococcus granulosus	neurogenic locus notch protein 4	0.0014	0.0302	0.0285
Toxoplasma gondii	aldehyde dehydrogenase	0.0021	0.0608	0.5719
Echinococcus multilocularis	neurogenic locus protein delta	0.0014	0.0302	0.0285
Brugia malayi	Calcium binding EGF domain containing protein	0.0014	0.0302	0.0362
Schistosoma mansoni	cercarial elastase (S01 family)	0.001	0.012	0.0103
Trypanosoma brucei	ATP synthase subunit beta, mitochondrial	0.001	0.0116	0.1107
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0032	0.1104	0.1088
Schistosoma mansoni	loxhd1	0.004	0.1423	0.1408
Echinococcus multilocularis	neurogenic locus protein delta	0.0014	0.0302	0.0285
Schistosoma mansoni	ATP synthase subunit beta vacuolar	0.0031	0.105	0.1034
Onchocerca volvulus		0.0014	0.0302	0.0291
Brugia malayi	Trypsin family protein	0.001	0.012	0.0144
Trypanosoma cruzi	V-type proton ATPase subunit B, putative	0.0031	0.105	1
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0018	0.0021
Schistosoma mansoni	rab6-interacting	0.004	0.1423	0.1408
Brugia malayi	vacuolar ATP synthase subunit B	0.0031	0.105	0.1256
Trypanosoma brucei	DNA polymerase kappa, putative	0.0009	0.0096	0.0912
Brugia malayi	Melibiase family protein	0.0015	0.0357	0.0427
Toxoplasma gondii	PHD-finger domain-containing protein	0.001	0.0137	0.1155
Brugia malayi	hypothetical protein	0.001	0.012	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0302	0.0362
Plasmodium vivax	ATP synthase alpha chain, putative	0.0015	0.0335	0.2257
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0015	0.0335	0.3076
Loa Loa (eye worm)	hypothetical protein	0.001	0.012	0.0144
Trypanosoma brucei	DNA polymerase IV, putative	0.0009	0.0096	0.0912
Schistosoma mansoni	hypothetical protein	0.0058	0.2231	0.2217
Echinococcus multilocularis	dna polymerase kappa	0.0009	0.0096	0.0078
Schistosoma mansoni	cercarial elastase (S01 family)	0.001	0.012	0.0103
Loa Loa (eye worm)	hypothetical protein	0.02	0.836	1
Echinococcus granulosus	slit 2 protein	0.0014	0.0302	0.0285
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0014	0.0302	0.0362
Brugia malayi	hypothetical protein	0.02	0.836	1
Giardia lamblia	High cysteine protein	0.0014	0.0302	0.2758
Echinococcus granulosus	jumonji domain containing protein	0.0014	0.0307	0.029
Trypanosoma brucei	DNA polymerase kappa, putative	0.0009	0.0096	0.0912
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0009	0.0096	0.0758
Plasmodium falciparum	V-type proton ATPase catalytic subunit A	0.001	0.0116	0.0702
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.001	0.012	0.0103
Trypanosoma brucei	DNA polymerase kappa, putative	0.0009	0.0096	0.0912
Trypanosoma brucei	DNA polymerase kappa, putative	0.0009	0.0096	0.0912
Plasmodium falciparum	LCCL domain-containing protein	0.004	0.1423	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.001	0.012	0.0103
Echinococcus granulosus	enteropeptidase	0.001	0.012	0.0103
Echinococcus multilocularis	glycoprotein Antigen 5	0.001	0.012	0.0103
Trichomonas vaginalis	DNA polymerase eta, putative	0.0009	0.0096	0.0758
Echinococcus multilocularis	vacuolar ATP synthase subunit b	0.0031	0.105	0.1034
Brugia malayi	hypothetical protein	0.004	0.1423	0.1703
Trichomonas vaginalis	ATP synthase beta subunit, putative	0.001	0.0116	0.0956
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0021	0.0608	1
Schistosoma mansoni	hypothetical protein	0.0028	0.091	0.0894
Brugia malayi	EGF-like domain containing protein	0.0014	0.0302	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0448	0.0536
Trypanosoma cruzi	V-type ATPase, A subunit, putative	0.001	0.0116	0.0956
Echinococcus multilocularis	lipoxygenase domain containing protein	0.004	0.1423	0.1408
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0015	0.0357	0.034
Schistosoma mansoni	hypothetical protein	0.0014	0.0302	0.0285
Brugia malayi	Doublecortin family protein	0.004	0.1423	0.1703
Onchocerca volvulus	Neurogenic locus notch homolog	0.0014	0.0302	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0302	0.0362
Plasmodium vivax	vacuolar ATP synthase catalytic subunit A, putative	0.001	0.0116	0.0702
Brugia malayi	GCC2 and GCC3 family protein	0.0014	0.0302	0.0362
Schistosoma mansoni	hypothetical protein	0.0011	0.0177	0.016
Echinococcus granulosus	neurogenic locus notch protein	0.0014	0.0302	0.0285
Echinococcus multilocularis	geminin	0.0058	0.2231	0.2217
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.001	0.012	0.0103
Loa Loa (eye worm)	vacuolar proton pump	0.0007	0.0018	0.0021
Echinococcus granulosus	lipoxygenase domain containing protein	0.004	0.1423	0.1408
Brugia malayi	Cadherin domain containing protein	0.0014	0.0302	0.0362
Echinococcus multilocularis	protein jagged 1	0.0014	0.0302	0.0285
Echinococcus multilocularis	slit 2 protein	0.0014	0.0302	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0302	0.0362
Echinococcus multilocularis	ATPase, H+ transporting, lysosomal accessory	0.02	0.836	0.8357
Schistosoma mansoni	hypothetical protein	0.0021	0.0625	0.0608
Loa Loa (eye worm)	hypothetical protein	0.001	0.012	0.0144
Trypanosoma brucei	DNA polymerase kappa, putative	0.0009	0.0096	0.0912
Echinococcus granulosus	neural cadherin	0.0014	0.0302	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0357	0.0427
Plasmodium falciparum	ATP synthase subunit beta, mitochondrial	0.001	0.0116	0.0702
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.001	0.012	0.0103
Onchocerca volvulus		0.0021	0.0625	0.0806
Schistosoma mansoni	notch	0.0014	0.0302	0.0285
Loa Loa (eye worm)	hypothetical protein	0.001	0.012	0.0144
Echinococcus granulosus	ATP synthase subunit alpha mitochondrial	0.0015	0.0335	0.0318
Echinococcus granulosus	protein jagged 2	0.0014	0.0302	0.0285
Loa Loa (eye worm)	hypothetical protein	0.001	0.012	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0302	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0302	0.0362
Entamoeba histolytica	V-type ATPase, A subunit, putative	0.001	0.0116	0.0956
Echinococcus multilocularis	neurogenic locus notch protein	0.0014	0.0302	0.0285
Echinococcus granulosus	transcription factor Dp 1	0.0008	0.0068	0.0051
Plasmodium vivax	multidomain scavenger receptor, putative	0.004	0.1423	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0302	0.0362
Loa Loa (eye worm)	hypothetical protein	0.001	0.0137	0.0164
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0009	0.0096	0.0758
Plasmodium vivax	vacuolar ATP synthase subunit b, putative	0.0031	0.105	0.7346
Echinococcus granulosus	neurogenic locus notch protein	0.0014	0.0302	0.0285
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0021	0.0608	0.5719
Treponema pallidum	V-type ATP synthase subunit B	0.0031	0.105	1
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0015	0.0335	0.3192
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.001	0.012	0.0103
Brugia malayi	EGF-like domain containing protein	0.0014	0.0302	0.0362
Trypanosoma brucei	unspecified product	0.0008	0.0032	0.0309
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0033	0.1127	0.1111
Toxoplasma gondii	kringle domain-containing protein	0.0021	0.0625	0.588
Schistosoma mansoni	aldehyde dehydrogenase	0.0021	0.0608	0.0592
Echinococcus granulosus	Mastin	0.001	0.012	0.0103
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.001	0.012	0.0103
Giardia lamblia	Vacuolar ATP synthase catalytic subunit A	0.001	0.0116	0.0956
Loa Loa (eye worm)	jmjC domain-containing protein	0.0012	0.0228	0.0273
Echinococcus granulosus	fibropellin Ia	0.0014	0.0302	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0625	0.0747
Echinococcus multilocularis	vacuolar H+ ATPase v1 sector subunit A	0.001	0.0116	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0302	0.0362
Onchocerca volvulus	Alhambra homolog	0.001	0.0137	0.0027
Schistosoma mansoni	cercarial elastase (S01 family)	0.001	0.012	0.0103
Mycobacterium leprae	PROBABLE ATP SYNTHASE ALPHA CHAIN ATPA	0.0015	0.0335	0.5
Echinococcus granulosus	vacuolar ATP synthase subunit b	0.0031	0.105	0.1034
Echinococcus granulosus	vacuolar H ATPase v1 sector subunit A	0.001	0.0116	0.0099
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0023	0.0685	0.0668
Trypanosoma brucei	DNA polymerase kappa, putative	0.0009	0.0096	0.0912
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0023	0.0685	0.0668
Brugia malayi	vacuolar ATP synthase catalytic subunit A, osteoclast isoform	0.001	0.0116	0.0139
Brugia malayi	Trypsin family protein	0.001	0.012	0.0144
Schistosoma mansoni	ATP synthase alpha subunit mitochondrial	0.0015	0.0335	0.0318
Echinococcus granulosus	RUN	0.004	0.1423	0.1408
Trypanosoma cruzi	Vacuolar proton pump subunit B, putative	0.0031	0.105	1
Schistosoma mansoni	hypothetical protein	0.0058	0.2231	0.2217
Trypanosoma brucei	DNA polymerase IV, putative	0.0009	0.0096	0.0912
Mycobacterium leprae	PROBABLE ATP SYNTHASE BETA CHAIN ATPD	0.0015	0.0335	0.5
Schistosoma mansoni	polycystin 1-related	0.004	0.1423	0.1408
Schistosoma mansoni	aldehyde dehydrogenase	0.0021	0.0608	0.0592
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0023	0.0685	0.0668
Trypanosoma cruzi	hypothetical protein, conserved	0.0021	0.0625	0.588
Loa Loa (eye worm)	hypothetical protein	0.004	0.1423	0.1703
Schistosoma mansoni	hypothetical protein	0.0014	0.0302	0.0285
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0015	0.0335	0.0318
Echinococcus granulosus	glycoprotein Antigen 5	0.001	0.012	0.0103
Trypanosoma brucei	V-type ATPase, A subunit, putative	0.001	0.0116	0.1107
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0015	0.0335	0.3076
Schistosoma mansoni	cercarial elastase (S01 family)	0.001	0.012	0.0103
Schistosoma mansoni	ATP synthase beta subunit	0.001	0.0116	0.0099
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0015	0.0335	0.0401
Onchocerca volvulus		0.0011	0.0177	0.0091
Brugia malayi	Cadherin domain containing protein	0.0014	0.0302	0.0362
Loa Loa (eye worm)	trypsin family protein	0.001	0.012	0.0144
Echinococcus multilocularis	protein jagged 2	0.0014	0.0302	0.0285
Schistosoma mansoni	ATP synthase alpha subunit vacuolar	0.001	0.0116	0.0099
Echinococcus granulosus	L aminoadipate semialdehyde	0.0018	0.05	0.0483
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0302	0.0362
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0302	0.0362
Loa Loa (eye worm)	TK/ROR protein kinase	0.0021	0.0625	0.0747
Mycobacterium ulcerans	hypothetical protein	0.001	0.012	0.0474
Trypanosoma brucei	DNA polymerase kappa, putative	0.0009	0.0096	0.0912
Echinococcus multilocularis	notch	0.0014	0.0302	0.0285
Echinococcus multilocularis	neural cadherin	0.0014	0.0302	0.0285
Echinococcus multilocularis	fibropellin Ia	0.0014	0.0302	0.0285
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.001	0.012	0.0103
Schistosoma mansoni	hypothetical protein	0.0014	0.0302	0.0285
Brugia malayi	vacuolar proton pump	0.0007	0.0018	0.0021
Schistosoma mansoni	notch	0.0014	0.0302	0.0285
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.001	0.012	0.0103

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	< 0.04 uM	Inhibitory activity against thrombin (IIa) was determined	ChEMBL.	12954058
IC50 (binding)	< 0.04 uM	Inhibitory activity against thrombin (IIa) was determined	ChEMBL.	12954058
IC50 (binding)	= 0.18 uM	Inhibitory activity against tissue coagulation factor VII complex was determined (TF/VIIa complex)	ChEMBL.	12954058
IC50 (binding)	= 0.18 uM	Inhibitory activity against tissue coagulation factor VII complex was determined (TF/VIIa complex)	ChEMBL.	12954058
Selectivity (binding)	= 0.22	Selectivity of the compound was determined towards Factor IIa / VIIa	ChEMBL.	12954058

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: CHEMBL130346

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 227052