TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 486.394 | Formula: C24H25Cl2N5O2
H donors: 3 H acceptors: 3 LogP: 4.07 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CNCCN(Cc1ccc(cc1)C(=O)Nc1ccc(cc1C(=O)Nc1ccc(cn1)Cl)Cl)C
InChi: 1S/C24H25Cl2N5O2/c1-27-11-12-31(2)15-16-3-5-17(6-4-16)23(32)29-21-9-7-18(25)13-20(21)24(33)30-22-10-8-19(26)14-28-22/h3-10,13-14,27H,11-12,15H2,1-2H3,(H,29,32)(H,28,30,33)
InChiKey: HVZQBAZMFIUZBO-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	protein C (inactivator of coagulation factors Va and VIIIa)	Starlite/ChEMBL	References
Homo sapiens	plasminogen	Starlite/ChEMBL	References
Homo sapiens	coagulation factor II (thrombin)	Starlite/ChEMBL	References
Homo sapiens	protease, serine, 1 (trypsin 1)	Starlite/ChEMBL	References
Homo sapiens	plasminogen activator, tissue	Starlite/ChEMBL	References
Homo sapiens	coagulation factor X	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126639	All targets in OG5_126639
Echinococcus multilocularis	Mastin	Get druggable targets OG5_136757	All targets in OG5_136757
Brugia malayi	Trypsin family 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 mansoni	subfamily S1A unassigned peptidase (S01 family)	Get druggable targets OG5_136757	All targets in OG5_136757
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	Get druggable targets OG5_126639	All targets in OG5_126639
Schistosoma japonicum	ko:K01346 pancreatic elastase II [EC3.4.21.71], putative	Get druggable targets OG5_136757	All targets in OG5_136757
Schistosoma japonicum	ko:K09639 transmembrane protease, serine 8, putative	Get druggable targets OG5_126639	All targets in OG5_126639
Echinococcus granulosus	glycoprotein Antigen 5	Get druggable targets OG5_136757	All targets in OG5_136757
Onchocerca volvulus		Get druggable targets OG5_126639	All targets in OG5_126639
Echinococcus granulosus	Mastin	Get druggable targets OG5_136757	All targets in OG5_136757
Echinococcus multilocularis	glycoprotein Antigen 5	Get druggable targets OG5_136757	All targets in OG5_136757
Echinococcus multilocularis	enteropeptidase	Get druggable targets OG5_136757	All targets in OG5_136757
Schistosoma japonicum	ko:K09639 transmembrane protease, serine 8, putative	Get druggable targets OG5_126639	All targets in OG5_126639
Echinococcus granulosus	enteropeptidase	Get druggable targets OG5_136757	All targets in OG5_136757
Loa Loa (eye worm)	hypothetical protein	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
Schistosoma mansoni	nAChR subunit	0.0168	0.0718	0.4103
Brugia malayi	Cation transporter family protein	0.0168	0.0718	0.0707
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0033	0.3633
Schistosoma mansoni	hypothetical protein	0.0085	0.0301	0.1678
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0168	0.0718	0.4534
Brugia malayi	Trypsin-like protease protein 5	0.0085	0.0301	0.0289
Toxoplasma gondii	hypothetical protein	0.0106	0.0407	0.0809
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0102	0.0577
Brugia malayi	Trypsin family protein	0.0085	0.0301	0.0289
Brugia malayi	PAN domain containing protein	0.0106	0.0407	0.0395
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0033	0.3633
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0259	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0259	0.0248
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0085	0.0301	0.1854
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0168	0.0718	0.4534
Schistosoma mansoni	cercarial elastase (S01 family)	0.0085	0.0301	0.1678
Schistosoma mansoni	thyroid hormone receptor	0.0133	0.0543	0.3086
Schistosoma mansoni	cercarial elastase (S01 family)	0.0085	0.0301	0.1678
Schistosoma mansoni	nAChR subunit	0.0168	0.0718	0.4103
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0168	0.0718	0.0707
Brugia malayi	Fibulin-1 precursor	0.0032	0.003	0.0019
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0044	0.4916
Onchocerca volvulus		0.0106	0.0407	0.2294
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0718	0.0707
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0168	0.0718	0.0707
Brugia malayi	Cation transporter family protein	0.0168	0.0718	0.0707
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0044	0.009	0.0299
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0168	0.0718	0.4103
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0044	0.009	0.7961
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0106	0.0403	0.8342
Echinococcus granulosus	transmembrane protease serine 3	0.0085	0.0301	0.1854
Brugia malayi	PAN domain containing protein	0.0106	0.0407	0.0395
Trypanosoma cruzi	hypothetical protein, conserved	0.0335	0.1569	1
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0102	0.009
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0168	0.0718	0.4534
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.009	1
Toxoplasma gondii	hypothetical protein	0.0106	0.0407	0.0809
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0718	0.0707
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0718	0.0707
Brugia malayi	PAN domain containing protein	0.0106	0.0407	0.0395
Brugia malayi	PAN domain containing protein	0.0106	0.0407	0.0395
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0168	0.0718	0.4534
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.009	1
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0168	0.0718	0.0707
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0259	0.0248
Mycobacterium tuberculosis	Probable reductase	0.0106	0.0403	0.8342
Echinococcus multilocularis	glycine receptor subunit beta	0.0168	0.0718	0.4534
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0367	0.1733	1
Schistosoma mansoni	egf-like domain protein	0.0032	0.003	0.0108
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0085	0.0301	0.1854
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0032	0.003	0.0019
Echinococcus multilocularis	nAChR subunit	0.009	0.0325	0.2012
Loa Loa (eye worm)	hypothetical protein	0.009	0.0325	0.0314
Echinococcus granulosus	nAChR subunit	0.0168	0.0718	0.4534
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0168	0.0718	0.4103
Onchocerca volvulus	Arrow homolog	0.0032	0.003	0.0108
Schistosoma mansoni	cercarial elastase (S01 family)	0.0085	0.0301	0.1678
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0168	0.0718	0.4534
Toxoplasma gondii	subtilisin SUB12	0.0106	0.0407	0.0809
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0718	0.0707
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0168	0.0718	0.4534
Brugia malayi	hypothetical protein	0.0077	0.0259	0.0248
Loa Loa (eye worm)	hypothetical protein	0.009	0.0325	0.0314
Schistosoma mansoni	hypothetical protein	0.0188	0.0824	0.472
Onchocerca volvulus		0.0106	0.0407	0.2294
Loa Loa (eye worm)	PAN domain-containing protein	0.0106	0.0407	0.0395
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0032	0.003	0.0038
Onchocerca volvulus		0.0106	0.0407	0.2294
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0259	0.0248
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0106	0.0403	0.8342
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0168	0.0718	0.4534
Onchocerca volvulus		0.009	0.0325	0.1821
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0301	0.0289
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0044	0.009	0.0299
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0168	0.0718	0.0707
Entamoeba histolytica	hypothetical protein	0.009	0.0325	1
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0077	0.0259	0.0248
Schistosoma mansoni	cercarial elastase (S01 family)	0.0085	0.0301	0.1678
Brugia malayi	Trypsin family protein	0.0367	0.1733	0.1723
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0718	0.0707
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0085	0.0301	0.1678
Brugia malayi	hypothetical protein	0.0077	0.0259	0.0248
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0085	0.0301	0.0289
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0102	0.009
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.009	0.0325	0.0314
Loa Loa (eye worm)	hypothetical protein	0.1994	1	1
Onchocerca volvulus		0.0168	0.0718	0.4103
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0102	0.0375
Echinococcus multilocularis	glycoprotein Antigen 5	0.0131	0.0534	0.3351
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0016	0.182
Echinococcus granulosus	glycoprotein Antigen 5	0.0131	0.0534	0.3351
Toxoplasma gondii	kringle domain-containing protein	0.0335	0.1569	0.319
Loa Loa (eye worm)	trypsin family protein	0.0085	0.0301	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0718	0.0707
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0718	0.0707
Echinococcus multilocularis	Tolloid protein 1	0.0032	0.003	0.0119
Schistosoma mansoni	nAChR subunit	0.0168	0.0718	0.4103
Mycobacterium tuberculosis	Probable dehydrogenase	0.0106	0.0403	0.8342
Onchocerca volvulus		0.0282	0.1299	0.7477
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0718	0.0707
Schistosoma mansoni	nAChR subunit	0.0077	0.0259	0.1438
Onchocerca volvulus		0.0106	0.0407	0.2294
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0077	0.0259	0.0248
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0168	0.0718	0.0707
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0168	0.0718	0.4534
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0301	0.0289
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0168	0.0718	0.0707
Onchocerca volvulus		0.0335	0.1569	0.9051
Toxoplasma gondii	PAN domain-containing protein	0.0106	0.0407	0.0809
Echinococcus multilocularis	nAChR subunit	0.0168	0.0718	0.4534
Toxoplasma gondii	microneme protein, putative	0.0106	0.0407	0.0809
Onchocerca volvulus		0.0106	0.0407	0.2294
Onchocerca volvulus		0.0085	0.0301	0.1678
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0718	0.0707
Brugia malayi	hypothetical protein	0.0077	0.0259	0.0248
Loa Loa (eye worm)	hypothetical protein	0.009	0.0325	0.0314
Brugia malayi	Thioredoxin reductase	0.0046	0.0102	0.009
Schistosoma mansoni	nAChR subunit	0.0077	0.0259	0.1438
Echinococcus multilocularis	transmembrane protease serine 3	0.0085	0.0301	0.1854
Loa Loa (eye worm)	hypothetical protein	0.009	0.0325	0.0314
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0032	0.003	0.0019
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0033	0.3633
Echinococcus granulosus	tissue type plasminogen activator	0.0335	0.1569	1
Onchocerca volvulus		0.0106	0.0407	0.2294
Onchocerca volvulus		0.0077	0.0259	0.1438
Brugia malayi	hypothetical protein	0.0077	0.0259	0.0248
Schistosoma mansoni	cercarial elastase (S01 family)	0.0085	0.0301	0.1678
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0077	0.0259	0.0248
Onchocerca volvulus		0.0168	0.0718	0.4103
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0718	0.0707
Onchocerca volvulus		0.0106	0.0407	0.2294
Leishmania major	hypothetical protein, conserved	0.0335	0.1569	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.003	0.0019
Onchocerca volvulus		0.0106	0.0407	0.2294
Loa Loa (eye worm)	hypothetical protein	0.0504	0.2426	0.2417
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0407	0.0395
Echinococcus multilocularis	Mastin	0.0131	0.0534	0.3351
Brugia malayi	PAN domain containing protein	0.0106	0.0407	0.0395
Loa Loa (eye worm)	PAN domain-containing protein	0.0106	0.0407	0.0395
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0168	0.0718	0.4534
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0168	0.0718	0.4534
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0131	0.0534	0.3034
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0168	0.0718	0.4534
Onchocerca volvulus		0.0077	0.0259	0.1438
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0168	0.0718	0.0707
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.009	0.0325	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0259	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0407	0.0395
Loa Loa (eye worm)	hypothetical protein	0.009	0.0325	0.0314
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0168	0.0718	0.4534
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0033	0.3633
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0259	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0407	0.0395
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0085	0.0301	0.1854
Toxoplasma gondii	microneme protein MIC17A	0.0106	0.0407	0.0809
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.009	0.0325	0.0314
Echinococcus granulosus	glycine receptor subunit beta	0.0168	0.0718	0.4534
Toxoplasma gondii	thioredoxin reductase	0.0046	0.0102	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0367	0.1733	0.1723
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0259	0.0248
Echinococcus granulosus	Mastin	0.0131	0.0534	0.3351
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0168	0.0718	0.4103
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0301	0.0289
Toxoplasma gondii	PAN domain-containing protein	0.0989	0.4894	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0032	0.003	0.0019
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0077	0.0259	0.1588
Schistosoma mansoni	nAChR subunit	0.0168	0.0718	0.4103
Onchocerca volvulus		0.0106	0.0407	0.2294
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0259	0.0248
Brugia malayi	PAN domain containing protein	0.0106	0.0407	0.0395
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0168	0.0718	0.4534
Loa Loa (eye worm)	hypothetical protein	0.1917	0.9607	0.9607
Loa Loa (eye worm)	acetylcholine receptor protein	0.0077	0.0259	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0407	0.0395
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0077	0.0259	0.0248
Schistosoma mansoni	hypothetical protein	0.0123	0.0493	0.2794
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0259	0.0248
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0168	0.0718	0.4534
Schistosoma mansoni	cercarial elastase (S01 family)	0.0085	0.0301	0.1678
Echinococcus multilocularis	tissue type plasminogen activator	0.0335	0.1569	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0117	0.0463	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0033	0.3633
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0168	0.0718	0.0707
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0085	0.0301	0.1678
Brugia malayi	PAN domain containing protein	0.0106	0.0407	0.0395
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0057	0.6367
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0033	0.3633
Leishmania major	trypanothione reductase	0.0046	0.0102	0.0375
Brugia malayi	glutathione reductase	0.0046	0.0102	0.009
Mycobacterium ulcerans	hypothetical protein	0.0085	0.0301	0.5
Loa Loa (eye worm)	hypothetical protein	0.009	0.0325	0.0314
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0032	0.003	0.0019
Loa Loa (eye worm)	hypothetical protein	0.009	0.0325	0.0314
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0168	0.0718	0.0707
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0077	0.0259	0.0248
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0044	0.4916
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0407	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0259	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0301	0.0289
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0044	0.009	0.0078
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0168	0.0718	0.0707
Echinococcus granulosus	nAChR subunit	0.009	0.0325	0.2012
Loa Loa (eye worm)	GABA receptor subunit	0.009	0.0325	0.0314
Toxoplasma gondii	microneme protein MIC17C	0.0106	0.0407	0.0809
Trypanosoma brucei	trypanothione reductase	0.0046	0.0102	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0168	0.0718	0.4103
Onchocerca volvulus		0.0168	0.0718	0.4103
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0259	0.0248
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0033	0.3633
Loa Loa (eye worm)	hypothetical protein	0.0367	0.1733	0.1723
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0077	0.0259	0.1588
Toxoplasma gondii	1,3(4)-beta-glucanase	0.0106	0.0407	0.0809
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.009	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.003	0.0019
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0085	0.0301	0.1678
Onchocerca volvulus		0.0367	0.1733	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0044	0.009	0.0454
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0335	0.1569	1
Onchocerca volvulus		0.0077	0.0259	0.1438
Toxoplasma gondii	PAN domain-containing protein	0.0106	0.0407	0.0809
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0077	0.0259	0.0248
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0133	0.0543	0.3409
Loa Loa (eye worm)	PAN domain-containing protein	0.0106	0.0407	0.0395
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0168	0.0718	0.4534
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0032	0.003	0.0038
Schistosoma mansoni	neurotransmitter gated ion channel	0.009	0.0325	0.1821
Echinococcus granulosus	laminin	0.0032	0.003	0.0119
Echinococcus granulosus	geminin	0.0188	0.0824	0.5215
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0077	0.0259	0.1588
Brugia malayi	hypothetical protein	0.0077	0.0259	0.0248
Echinococcus multilocularis	fibrillin 1	0.0032	0.003	0.0119
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0168	0.0718	0.4534
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0085	0.0301	0.1678
Brugia malayi	Protein kinase domain containing protein	0.0335	0.1569	0.1559
Brugia malayi	PAN domain containing protein	0.0106	0.0407	0.0395
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0044	0.4916
Schistosoma mansoni	nAChR subunit	0.0168	0.0718	0.4103
Onchocerca volvulus		0.0106	0.0407	0.2294
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0718	0.0707
Plasmodium falciparum	cysteine repeat modular protein 1	0.0335	0.1569	1
Toxoplasma gondii	PAN domain-containing protein	0.0106	0.0407	0.0809
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0117	0.0463	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0044	0.009	0.7961
Echinococcus multilocularis	glycine receptor subunit beta	0.0168	0.0718	0.4534
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0123	0.0493	0.3087
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0168	0.0718	0.0707
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0044	0.009	0.0502
Brugia malayi	excitatory GABA receptor EXP-1A	0.0168	0.0718	0.0707
Toxoplasma gondii	microneme protein MIC4	0.0106	0.0407	0.0809
Loa Loa (eye worm)	hypothetical protein	0.0032	0.003	0.0019
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0168	0.0718	0.0707
Loa Loa (eye worm)	hypothetical protein	0.0032	0.003	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0335	0.1569	0.1559
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0044	0.009	0.0299
Onchocerca volvulus		0.0085	0.0301	0.1678
Schistosoma mansoni	hypothetical protein	0.0085	0.0301	0.1678
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0012	0.1283
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0077	0.0259	0.0248
Giardia lamblia	GTOR	0.0044	0.009	1
Echinococcus granulosus	glycine receptor subunit beta	0.0168	0.0718	0.4534
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0085	0.0301	0.1678
Brugia malayi	Trypsin family protein	0.0085	0.0301	0.0289
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0077	0.0259	0.0248
Schistosoma mansoni	thyroid hormone receptor	0.0133	0.0543	0.3086
Schistosoma mansoni	cercarial elastase (S01 family)	0.0085	0.0301	0.1678
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0106	0.0403	0.8342
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0085	0.0301	0.1854
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0168	0.0718	0.4534
Onchocerca volvulus		0.0085	0.0301	0.1678
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0718	0.0707
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0168	0.0718	0.4534
Brugia malayi	PAN domain containing protein	0.0106	0.0407	0.0395
Schistosoma mansoni	nAChR subunit	0.0168	0.0718	0.4103
Loa Loa (eye worm)	phosphatidylinositol 3	0.0044	0.009	0.0078
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0168	0.0718	0.0707
Toxoplasma gondii	PAN domain-containing protein	0.0989	0.4894	1
Onchocerca volvulus		0.0085	0.0301	0.1678
Loa Loa (eye worm)	ACC-1 protein	0.0168	0.0718	0.0707
Onchocerca volvulus	Putative nachr subunit	0.0168	0.0718	0.4103
Schistosoma mansoni	acetylcholine receptor-related	0.0077	0.0259	0.1438
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0077	0.0259	0.1438
Toxoplasma gondii	PAN/Apple domain-containing protein	0.0106	0.0407	0.0809
Echinococcus granulosus	enteropeptidase	0.0131	0.0534	0.3351
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0168	0.0718	0.4534
Schistosoma mansoni	cercarial elastase (S01 family)	0.0085	0.0301	0.1678
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0077	0.0259	0.1588
Brugia malayi	Trypsin family protein	0.0085	0.0301	0.0289
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.009	0.0325	0.0314
Toxoplasma gondii	PAN domain-containing protein	0.0106	0.0407	0.0809
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0033	0.0033	0.0043
Brugia malayi	hypothetical protein	0.0085	0.0301	0.0289
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.009	0.0325	0.1821
Schistosoma mansoni	hypothetical protein	0.0188	0.0824	0.472
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0102	0.0577
Loa Loa (eye worm)	TK/ROR protein kinase	0.0335	0.1569	0.1559
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0168	0.0718	0.0707
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0718	0.0707
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0168	0.0718	0.0707
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0168	0.0718	0.0707
Loa Loa (eye worm)	hypothetical protein	0.009	0.0325	0.0314
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0168	0.0718	0.4534
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0168	0.0718	0.0707
Schistosoma mansoni	cercarial elastase (S01 family)	0.0085	0.0301	0.1678
Echinococcus multilocularis	enteropeptidase	0.0131	0.0534	0.3351
Schistosoma mansoni	cercarial elastase (S01 family)	0.0085	0.0301	0.1678
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0718	0.0707
Toxoplasma gondii	microneme protein MIC17B	0.0106	0.0407	0.0809
Loa Loa (eye worm)	hypothetical protein	0.0032	0.003	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0259	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0718	0.0707
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0168	0.0718	0.0707
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0168	0.0718	0.0707
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0407	0.0395
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0168	0.0718	0.0707
Schistosoma mansoni	hypothetical protein	0.0335	0.1569	0.9051
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0106	0.0403	0.8342
Echinococcus multilocularis	laminin	0.0032	0.003	0.0119
Onchocerca volvulus		0.0085	0.0301	0.1678
Onchocerca volvulus		0.0106	0.0407	0.2294
Loa Loa (eye worm)	PAN domain-containing protein	0.0106	0.0407	0.0395
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0367	0.1733	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0117	0.0463	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0168	0.0718	0.4103
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0117	0.0463	1
Onchocerca volvulus		0.0168	0.0718	0.4103
Brugia malayi	PAN domain containing protein	0.0106	0.0407	0.0395
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0044	0.009	0.0502
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0407	0.0395
Echinococcus multilocularis	geminin	0.0188	0.0824	0.5215
Onchocerca volvulus		0.0168	0.0718	0.4103
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0718	0.0707
Schistosoma mansoni	nAChR subunit	0.0168	0.0718	0.4103
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0044	0.009	0.0299
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0032	0.003	0.0019
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0168	0.0718	0.4534
Brugia malayi	Kringle domain containing protein	0.0335	0.1569	0.1559
Loa Loa (eye worm)	PAN domain-containing protein	0.0106	0.0407	0.0395
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.009	0.0325	0.1821
Echinococcus granulosus	Tolloid protein 1	0.0032	0.003	0.0119
Schistosoma mansoni	neurotransmitter gated ion channel	0.0077	0.0259	0.1438
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0301	0.0289
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0044	0.4916
Loa Loa (eye worm)	LGC-31 protein	0.0168	0.0718	0.0707
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0259	0.0248
Loa Loa (eye worm)	ACC-1 protein	0.0168	0.0718	0.0707
Onchocerca volvulus		0.009	0.0325	0.1821
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0259	0.0248
Brugia malayi	Cation transporter family protein	0.0168	0.0718	0.0707
Schistosoma mansoni	cercarial elastase (S01 family)	0.0085	0.0301	0.1678
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0168	0.0718	0.0707
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0168	0.0718	0.4103
Onchocerca volvulus		0.0168	0.0718	0.4103
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0259	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0718	0.0707
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0077	0.0259	0.1588
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0044	0.4916
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0032	0.003	0.0108
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0123	0.0493	0.3087
Schistosoma mansoni	neurotransmitter gated ion channel	0.0077	0.0259	0.1438

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.8 nM	In vitro inhibitory activity against coagulation factor X.	ChEMBL.	15013007
IC50 (binding)	= 6.8 nM	In vitro inhibitory activity against coagulation factor X.	ChEMBL.	15013007
IC50 (binding)	> 11 uM	Inhibitory activity against thrombin.	ChEMBL.	15013007
IC50 (binding)	> 11 uM	Inhibitory activity against tissue type plasminogen activator.	ChEMBL.	15013007
IC50 (binding)	> 11 uM	Inhibitory activity against trypsin.	ChEMBL.	15013007
IC50 (binding)	> 11 uM	Inhibitory activity against activated protein C	ChEMBL.	15013007
IC50 (binding)	> 11 uM	Inhibitory activity against plasmin.	ChEMBL.	15013007
IC50 (binding)	> 11 uM	Inhibitory activity against thrombin.	ChEMBL.	15013007
IC50 (binding)	> 11 uM	Inhibitory activity against tissue type plasminogen activator.	ChEMBL.	15013007
IC50 (binding)	> 11 uM	Inhibitory activity against trypsin.	ChEMBL.	15013007
IC50 (binding)	> 11 uM	Inhibitory activity against activated protein C	ChEMBL.	15013007
IC50 (binding)	> 11 uM	Inhibitory activity against plasmin.	ChEMBL.	15013007

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: CHEMBL175014

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 308591