TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 563.534 | Formula: C27H24F3N9O2
H donors: 2 H acceptors: 4 LogP: 2.75 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: CN(Cc1nccn1c1ccc(cc1)N1CCc2c(C1=O)n(nc2C(F)(F)F)c1cccc(c1)c1n[nH]c(=O)[nH]1)C
InChi: 1S/C27H24F3N9O2/c1-36(2)15-21-31-11-13-37(21)17-6-8-18(9-7-17)38-12-10-20-22(25(38)40)39(35-23(20)27(28,29)30)19-5-3-4-16(14-19)24-32-26(41)34-33-24/h3-9,11,13-14H,10,12,15H2,1-2H3,(H2,32,33,34,41)
InChiKey: IBHNCZUUOXCFBP-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	protease, serine, 3	Starlite/ChEMBL	References
Homo sapiens	coagulation factor II (thrombin)	Starlite/ChEMBL	References
Homo sapiens	protease, serine, 1 (trypsin 1)		References
Homo sapiens	protease, serine, 2 (trypsin 2)		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
Brugia malayi	Trypsin family protein	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
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	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
Onchocerca volvulus		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
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	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
Schistosoma mansoni	cercarial elastase (S01 family)	protease, serine, 2 (trypsin 2)	247 aa	240 aa	25.8 %
Brugia malayi	Trypsin family protein	protease, serine, 1 (trypsin 1)	247 aa	287 aa	21.6 %
Schistosoma mansoni	cercarial elastase (S01 family)	protease, serine, 3	261 aa	234 aa	25.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0019	0.017	0.0373
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0214	0.0472
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0019	0.017	0.0373
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0028	0.0284	0.0631
Schistosoma mansoni	smad1 5 8 and	0.0008	0.002	0.0033
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0019	0.017	0.0373
Brugia malayi	Nuclear hormone receptor-like 1	0.0019	0.017	0.0373
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0028	0.0284	0.0631
Echinococcus granulosus	mitogen activated protein kinase 14	0.0075	0.0888	0.4368
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0038	0.0073
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0008	0.002	0.0015
Echinococcus granulosus	geminin	0.0163	0.2026	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0009	0.0038	0.0032
Echinococcus granulosus	FTZ F1 alpha	0.0019	0.017	0.0816
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0019	0.017	0.0165
Echinococcus granulosus	Tolloid protein 1	0.0016	0.0128	0.0606
Echinococcus granulosus	smad	0.0008	0.002	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0038	0.0073
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.002	0.0033
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0016	0.0128	0.0277
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0008	0.0011
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0019	0.017	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0343	0.0764
Brugia malayi	nuclear hormone receptor family member odr-7	0.0009	0.0038	0.0073
Leishmania major	hypothetical protein, conserved	0.0021	0.0195	0.2143
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0052	0.0105
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.0008	0.0025	0.5
Schistosoma mansoni	hypothetical protein	0.0028	0.0284	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0284	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0128	0.0277
Schistosoma mansoni	smad1 5 8 and	0.0008	0.002	0.0033
Schistosoma mansoni	apoferritin-2	0.0008	0.0025	0.0043
Schistosoma mansoni	nuclear receptor nhr-48	0.0009	0.0038	0.0073
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0021	0.0195	1
Brugia malayi	Steroid receptor seven-up type 2	0.0019	0.017	0.0373
Schistosoma mansoni	hypothetical protein	0.0015	0.0115	0.0248
Echinococcus multilocularis	expressed protein	0.0008	0.0025	0.0019
Loa Loa (eye worm)	hypothetical protein	0.001	0.0052	0.0105
Schistosoma mansoni	retinoic acid receptor RXR	0.0019	0.017	0.0373
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0127	0.5844
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0019	0.017	0.0373
Schistosoma mansoni	cercarial elastase (S01 family)	0.0028	0.0284	0.0631
Brugia malayi	TAR-binding protein	0.0061	0.0707	0.1588
Schistosoma mansoni	nuclear hormone receptor	0.0019	0.017	0.0373
Schistosoma mansoni	cercarial elastase (S01 family)	0.0028	0.0284	0.0631
Schistosoma mansoni	thyroid hormone receptor	0.0019	0.017	0.0373
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0019	0.017	0.0373
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0347	0.4418	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0539	0.1208
Schistosoma mansoni	hypothetical protein	0.0015	0.0115	0.0248
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.0139	0.4798
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0038	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0038	0.0073
Brugia malayi	Trypsin family protein	0.0028	0.0284	0.0631
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0009	0.0038	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0139	0.0303
Schistosoma mansoni	cpg binding protein	0.0029	0.0296	0.0659
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.003	0.0118
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0214	0.5772
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0115	0.0248
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0009	0.0038	0.0158
Loa Loa (eye worm)	transcription factor SMAD2	0.0115	0.1403	0.3167
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0008	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0246	0.3105	0.7024
Schistosoma mansoni	cercarial elastase (S01 family)	0.0028	0.0284	0.0631
Brugia malayi	Nuclear hormone receptor E75	0.0009	0.0038	0.0073
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0028	0.0284	0.0631
Schistosoma mansoni	hypothetical protein	0.0033	0.0343	0.0764
Onchocerca volvulus		0.0009	0.0038	0.0073
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0019	0.017	0.0373
Echinococcus multilocularis	ferritin	0.0008	0.0025	0.0019
Echinococcus multilocularis	enteropeptidase	0.0028	0.0284	0.0279
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0019	0.017	0.0165
Onchocerca volvulus		0.0028	0.0284	0.0631
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0214	0.236
Loa Loa (eye worm)	hypothetical protein	0.0347	0.4418	1
Echinococcus granulosus	expressed protein	0.0008	0.0025	0.0093
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0214	0.7472
Brugia malayi	steroid hormone receptor	0.0019	0.017	0.0373
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0075	0.0888	0.0883
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0115	0.011
Mycobacterium leprae	PROBABLE BACTERIOFERRITIN BFRA	0.0008	0.0025	0.0906
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0284	0.0631
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0028	0.0284	0.0631
Brugia malayi	Trypsin family protein	0.0347	0.4418	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0028	0.0284	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0139	0.0303
Onchocerca volvulus		0.0021	0.0195	0.0428
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0019	0.017	0.0373
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0214	0.7472
Onchocerca volvulus	Protein ultraspiracle homolog	0.0019	0.017	0.0373
Brugia malayi	ecdysteroid receptor	0.0019	0.017	0.0373
Onchocerca volvulus		0.0019	0.017	0.0373
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0019	0.017	0.0816
Brugia malayi	MH2 domain containing protein	0.0008	0.002	0.0033
Schistosoma mansoni	hypothetical protein	0.0021	0.0195	0.0428
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0075	0.0888	1
Schistosoma mansoni	hypothetical protein	0.0163	0.2026	0.4578
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0019	0.017	0.0373
Mycobacterium tuberculosis	Probable bacterioferritin BfrA	0.0008	0.0025	0.0906
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0038	0.0073
Echinococcus multilocularis	tissue type plasminogen activator	0.0021	0.0195	0.0189
Onchocerca volvulus		0.0028	0.0284	0.0631
Brugia malayi	Smad1	0.0008	0.002	0.0033
Brugia malayi	nuclear receptor NHR-88	0.0009	0.0038	0.0073
Onchocerca volvulus		0.0023	0.0214	0.0472
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0019	0.017	0.0165
Loa Loa (eye worm)	TK/ROR protein kinase	0.0021	0.0195	0.0428
Echinococcus multilocularis	geminin	0.0163	0.2026	0.2021
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.0707	0.1588
Loa Loa (eye worm)	hypothetical protein	0.001	0.0052	0.0105
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0019	0.017	0.0373
Onchocerca volvulus		0.0028	0.0284	0.0631
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0019	0.017	0.0373
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0366	0.0361
Brugia malayi	MH1 domain containing protein	0.0008	0.002	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0019	0.017	0.0373
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0019	0.017	0.0816
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0019	0.017	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0139	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0347	0.4418	1
Echinococcus granulosus	Smad4	0.0008	0.002	0.0072
Brugia malayi	nuclear hormone receptor	0.0019	0.017	0.0373
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0028	0.0284	0.1379
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0214	0.7472
Schistosoma mansoni	nuclear hormone receptor	0.0009	0.0038	0.0073
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0707	0.1588
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0009	0.0038	0.0032
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0008	0.0002
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0052	0.0105
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.0006	0.2304
Echinococcus multilocularis	FTZ F1 alpha	0.0019	0.017	0.0165
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0214	1
Schistosoma mansoni	ferritin	0.0008	0.0025	0.0043
Brugia malayi	F/Y-rich N-terminus family protein	0.0008	0.0028	0.0051
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0009	0.0038	0.0073
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0009	0.0038	0.0073
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0127	0.5844
Schistosoma mansoni	hypothetical protein	0.0015	0.0115	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0115	0.0248
Echinococcus granulosus	mothers against decapentaplegic 5	0.0008	0.002	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0284	0.0631
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0214	0.5772
Echinococcus multilocularis	Mastin	0.0028	0.0284	0.0279
Brugia malayi	hypothetical protein	0.0035	0.0366	0.0817
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0707	0.1588
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0214	0.0472
Brugia malayi	hypothetical protein	0.0009	0.0038	0.0073
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0009	0.0038	0.0073
Entamoeba histolytica	hypothetical protein	0.0035	0.0366	1
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0075	0.0888	0.0883
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0214	0.7472
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0276	0.0613
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0008	0.002	0.0072
Brugia malayi	orphan nuclear receptor NR2E1	0.0009	0.0038	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0284	0.0631
Schistosoma mansoni	hypothetical protein	0.0028	0.0284	0.0631
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0019	0.017	0.0165
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0019	0.017	0.0816
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0019	0.017	0.0373
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0539	0.1208
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0128	0.0277
Echinococcus granulosus	ecdysone induced protein 78C	0.0019	0.017	0.0816
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0019	0.017	0.0373
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0019	0.017	0.0373
Brugia malayi	tailless protein	0.0009	0.0038	0.0073
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0008	0.0011
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0276	0.0613
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.0707	0.0701
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0214	0.5772
Entamoeba histolytica	hypothetical protein	0.0035	0.0366	1
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0075	0.0888	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0019	0.017	0.0165
Echinococcus granulosus	transmembrane protease serine 3	0.0028	0.0284	0.1379
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0214	0.236
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0075	0.0888	1
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0016	0.0128	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0128	0.0277
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0214	0.7472
Onchocerca volvulus		0.0028	0.0284	0.0631
Onchocerca volvulus		0.0028	0.0284	0.0631
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0075	0.0888	0.1999
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0214	0.0472
Plasmodium falciparum	cysteine repeat modular protein 1	0.0021	0.0195	1
Schistosoma mansoni	ferritin	0.0008	0.0025	0.0043
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0016	0.0128	0.2075
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0019	0.017	0.0373
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.0006	0.2304
Loa Loa (eye worm)	hypothetical protein	0.0019	0.017	0.0373
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0539	0.1208
Schistosoma mansoni	cercarial elastase (S01 family)	0.0028	0.0284	0.0631
Schistosoma mansoni	ferritin light chain	0.0008	0.0025	0.0043
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0707	0.1588
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0028	0.0284	0.0279
Schistosoma mansoni	cpg binding protein	0.0028	0.0276	0.0613
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.002	0.0033
Brugia malayi	nuclear receptor NHR-67	0.0009	0.0038	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0038	0.0073
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0115	0.0542
Onchocerca volvulus	Arrow homolog	0.0016	0.0128	0.0277
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0009	0.0038	0.0032
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0019	0.017	0.0373
Echinococcus granulosus	mitogen activated protein kinase 11	0.0075	0.0888	0.4368
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0019	0.017	0.0373
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0028	0.0284	0.1379
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0214	0.7472
Mycobacterium ulcerans	bacterioferritin BfrB	0.0008	0.0025	0.0677
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0009	0.0038	0.0073
Onchocerca volvulus		0.0028	0.0276	0.0613
Echinococcus granulosus	glycoprotein Antigen 5	0.0028	0.0284	0.1379
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0115	0.011
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.002	0.0033
Echinococcus multilocularis	cpg binding protein	0.0029	0.0296	0.0291
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0707	0.1588
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0009	0.0038	0.0032
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0019	0.017	0.0165
Echinococcus granulosus	enteropeptidase	0.0028	0.0284	0.1379
Echinococcus multilocularis	smad	0.0008	0.002	0.0015
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0214	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.003	0.0024
Echinococcus granulosus	nuclear receptor nhr 48	0.0009	0.0038	0.0158
Loa Loa (eye worm)	Smad1	0.0008	0.002	0.0033
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0139	0.7071
Schistosoma mansoni	apoferritin-2	0.0008	0.0025	0.0043
Brugia malayi	ecdysone receptor	0.0009	0.0038	0.0073
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0008	0.0002
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0019	0.017	0.0373
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0139	0.6421
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0016	0.0128	0.2075
Echinococcus multilocularis	Smad4	0.0008	0.002	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0128	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0038	0.0073
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0009	0.0038	0.0073
Loa Loa (eye worm)	trypsin family protein	0.0028	0.0284	0.0631
Schistosoma mansoni	Smad4	0.0008	0.002	0.0033
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0019	0.017	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0214	0.0472
Mycobacterium tuberculosis	Bacterioferritin BfrB	0.0008	0.0025	0.0906
Brugia malayi	nuclear hormone receptor	0.0009	0.0038	0.0073
Entamoeba histolytica	hypothetical protein	0.0035	0.0366	1
Schistosoma mansoni	hypothetical protein	0.0163	0.2026	0.4578
Schistosoma mansoni	cercarial elastase (S01 family)	0.0028	0.0284	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0019	0.017	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0019	0.017	0.0373
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0139	0.5
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0008	0.002	0.0015
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.001	0.0052	0.0229
Brugia malayi	hypothetical protein	0.001	0.0052	0.0105
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0707	0.1588
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0009	0.0038	0.0158
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0075	0.0888	0.0883
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0009	0.0038	0.0073
Brugia malayi	Fibulin-1 precursor	0.0016	0.0128	0.0277
Brugia malayi	Kringle domain containing protein	0.0021	0.0195	0.0428
Echinococcus multilocularis	nuclear receptor nhr 48	0.0009	0.0038	0.0032
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0019	0.017	0.0373
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0214	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0038	0.0073
Schistosoma mansoni	thyroid hormone receptor	0.0019	0.017	0.0373
Onchocerca volvulus		0.0347	0.4418	1
Schistosoma mansoni	hypothetical protein	0.0015	0.0115	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0128	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0214	0.0472
Echinococcus granulosus	laminin	0.0016	0.0128	0.0606
Schistosoma mansoni	nuclear receptor	0.0009	0.0038	0.0073
Brugia malayi	Nuclear hormone receptor E75	0.0009	0.0038	0.0073
Schistosoma mansoni	hypothetical protein	0.0035	0.0366	0.0817
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0038	0.0073
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0009	0.0038	0.0158
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0214	0.0472
Brugia malayi	hypothetical protein	0.0009	0.0038	0.0073
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0139	0.7071
Brugia malayi	hypothetical protein	0.001	0.0052	0.0105
Echinococcus granulosus	tissue type plasminogen activator	0.0021	0.0195	0.0936
Schistosoma mansoni	cercarial elastase (S01 family)	0.0028	0.0284	0.0631
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0127	0.5844
Schistosoma mansoni	coup transcription factor	0.0019	0.017	0.0373
Echinococcus granulosus	cpg binding protein	0.0029	0.0296	0.144
Brugia malayi	Calcium binding EGF domain containing protein	0.0016	0.0128	0.0277
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0019	0.017	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0019	0.017	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0284	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0038	0.0073
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0075	0.0888	0.0883
Loa Loa (eye worm)	nuclear hormone receptor	0.0009	0.0038	0.0073
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0366	0.1786
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0019	0.017	0.0816
Brugia malayi	nuclear receptor NHR-88	0.0019	0.017	0.0373
Loa Loa (eye worm)	DR-78	0.0009	0.0038	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0139	0.0303
Brugia malayi	conserved hypotetical protein	0.0009	0.0038	0.0073
Schistosoma mansoni	ferritin	0.0008	0.0025	0.0043
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.0707	0.1588
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.003	0.0054
Brugia malayi	Trypsin family protein	0.0028	0.0284	0.0631
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0009	0.0038	0.0032
Schistosoma mansoni	RAR-like nuclear receptor	0.0019	0.017	0.0373
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0019	0.017	0.0373
Brugia malayi	Protein kinase domain containing protein	0.0021	0.0195	0.0428
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0058	0.0676	0.152
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0139	0.0303
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0343	0.0764
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0019	0.017	0.0165
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0028	0.0284	0.0631
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.001	0.0052	0.0105
Brugia malayi	MH1 domain containing protein	0.0008	0.002	0.0033
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0009	0.0038	0.0073
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0016	0.0128	0.0277
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.001	0.0052	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0539	0.1208
Brugia malayi	photoreceptor-specific nuclear receptor	0.0246	0.3105	0.7024
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0038	0.0073
Treponema pallidum	bacterioferrin (TpF1)	0.0008	0.0025	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0019	0.017	0.0373
Trypanosoma cruzi	hypothetical protein, conserved	0.0021	0.0195	0.2143
Echinococcus granulosus	Mastin	0.0028	0.0284	0.1379
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0019	0.017	0.0816
Echinococcus granulosus	tar DNA binding protein	0.0061	0.0707	0.347
Schistosoma mansoni	cercarial elastase (S01 family)	0.0028	0.0284	0.0631
Brugia malayi	nuclear receptor RXR	0.0009	0.0038	0.0073
Brugia malayi	P38 map kinase family protein 2	0.0075	0.0888	0.1999
Onchocerca volvulus		0.0009	0.0038	0.0073
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0019	0.017	0.0373
Trichomonas vaginalis	ferritin, putative	0.0008	0.0025	1
Brugia malayi	Trypsin family protein	0.0028	0.0284	0.0631
Schistosoma mansoni	zinc finger protein	0.0009	0.0038	0.0073
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0115	0.0542
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0019	0.017	0.0373
Entamoeba histolytica	hypothetical protein	0.0035	0.0366	1
Brugia malayi	Trypsin-like protease protein 5	0.0028	0.0284	0.0631
Echinococcus granulosus	GPCR family 2	0.0015	0.0115	0.0542
Schistosoma mansoni	ferritin light chain	0.0008	0.0025	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0195	0.0428
Brugia malayi	MH2 domain containing protein	0.0115	0.1403	0.3167
Brugia malayi	MH2 domain containing protein	0.0008	0.002	0.0033
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.001	0.0052	0.0105
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0028	0.0284	0.0279
Echinococcus multilocularis	transmembrane protease serine 3	0.0028	0.0284	0.0279
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0115	0.0248
Toxoplasma gondii	kringle domain-containing protein	0.0021	0.0195	0.3205
Schistosoma mansoni	cercarial elastase (S01 family)	0.0028	0.0284	0.0631
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0075	0.0888	1
Schistosoma mansoni	smad	0.0008	0.002	0.0033
Schistosoma mansoni	smad1 5 8 and	0.0008	0.002	0.0033
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0019	0.017	0.0816
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0214	1
Brugia malayi	hypothetical protein	0.0028	0.0284	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0019	0.017	0.0373
Schistosoma mansoni	cpg binding protein	0.0029	0.0296	0.0659
Schistosoma mansoni	cercarial elastase (S01 family)	0.0028	0.0284	0.0631
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0115	0.011
Brugia malayi	nuclear receptor RXR	0.001	0.0052	0.0105
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0019	0.017	0.0373
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0214	0.7472
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0028	0.0284	0.0631
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0052	0.0596	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0052	0.0105
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0019	0.017	0.0373
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0214	0.236
Brugia malayi	RNA binding protein	0.0061	0.0707	0.1588
Schistosoma mansoni	nuclear hormone receptor	0.0009	0.0038	0.0073
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0016	0.0128	0.0277
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0214	0.7472
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0038	0.0073
Schistosoma mansoni	egf-like domain protein	0.0016	0.0128	0.0277
Onchocerca volvulus	Bile acid receptor homolog	0.0019	0.017	0.0373
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0347	0.4418	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0038	0.0073
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0019	0.017	0.0816
Loa Loa (eye worm)	hypothetical protein	0.001	0.0052	0.0105
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0115	0.0248
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0016	0.0128	0.0277
Echinococcus multilocularis	laminin	0.0016	0.0128	0.0122
Onchocerca volvulus		0.0319	0.4053	0.9172
Echinococcus multilocularis	glycoprotein Antigen 5	0.0028	0.0284	0.0279
Echinococcus multilocularis	Tolloid protein 1	0.0016	0.0128	0.0122
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0009	0.0038	0.0158
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.0707	0.1588
Schistosoma mansoni	ferritin	0.0008	0.0025	0.0043
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0019	0.017	0.0373
Mycobacterium ulcerans	hypothetical protein	0.0028	0.0284	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0028	0.0284	0.0631
Echinococcus granulosus	ferritin	0.0008	0.0025	0.0093
Schistosoma mansoni	cercarial elastase (S01 family)	0.0028	0.0284	0.0631
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0019	0.017	0.0165
Echinococcus granulosus	thyroid hormone receptor alpha	0.0009	0.0038	0.0158
Loa Loa (eye worm)	hypothetical protein	0.001	0.0052	0.0105
Schistosoma mansoni	nuclear receptor	0.0009	0.0038	0.0073
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0127	0.5844
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0366	0.0817
Loa Loa (eye worm)	hypothetical protein	0.001	0.0052	0.0105
Loa Loa (eye worm)	steroid hormone receptor	0.0019	0.017	0.0373
Mycobacterium ulcerans	bacterioferritin BfrA	0.0008	0.0025	0.0677
Echinococcus multilocularis	fibrillin 1	0.0016	0.0128	0.0122
Loa Loa (eye worm)	MH2 domain-containing protein	0.0115	0.1403	0.3167
Loa Loa (eye worm)	RNA binding protein	0.0061	0.0707	0.1588

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 2 nM	Inhibition of human factor 10a	ChEMBL.	20100660
Ki (binding)	> 4200 nM	Inhibition of human trypsin	ChEMBL.	20100660
Ki (binding)	> 6000 nM	Inhibition of human factor 2a	ChEMBL.	20100660

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: CHEMBL592400

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1089364