TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 543.026 | Formula: C29H32ClFN2O5
H donors: 1 H acceptors: 1 LogP: 4.44 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: COc1ccccc1COCCCOc1ccc(cc1)N1[C@H](CNCC1=O)COCc1ccc(cc1Cl)F
InChi: 1S/C29H32ClFN2O5/c1-35-28-6-3-2-5-22(28)19-36-13-4-14-38-26-11-9-24(10-12-26)33-25(16-32-17-29(33)34)20-37-18-21-7-8-23(31)15-27(21)30/h2-3,5-12,15,25,32H,4,13-14,16-20H2,1H3/t25-/m1/s1
InChiKey: YTWPNMBYOAHYMX-RUZDIDTESA-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	renin	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium knowlesi	plasmepsin IV, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Candida albicans	vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C)	Get druggable targets OG5_126885	All targets in OG5_126885
Babesia bovis	eukaryotic aspartyl protease family protein	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium berghei	plasmepsin IV	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin II	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	plasmepsin	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma mansoni	cathepsin D (A01 family)	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma japonicum	ko:K01379 cathepsin D [EC3.4.23.5], putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium vivax	plasmepsin IV, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Cryptosporidium parvum	membrane bound aspartyl proteinase with a signal peptide plus transmembrane domain	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium knowlesi	aspartyl protease, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Toxoplasma gondii	aspartyl protease ASP1	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium berghei	plasmepsin VI	Get druggable targets OG5_126885	All targets in OG5_126885
Theileria parva	cathepsin E, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin VI	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin I	Get druggable targets OG5_126885	All targets in OG5_126885
Loa Loa (eye worm)	aspartic protease BmAsp-2	Get druggable targets OG5_126885	All targets in OG5_126885
Theileria parva	pepsinogen, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Neospora caninum	Pepsinogen A1, related	Get druggable targets OG5_126885	All targets in OG5_126885
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	Get druggable targets OG5_126885	All targets in OG5_126885
Cryptosporidium hominis	aspartyl protease precursor	Get druggable targets OG5_126885	All targets in OG5_126885
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin IV	Get druggable targets OG5_126885	All targets in OG5_126885
Candida albicans	vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C)	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium vivax	aspartyl proteinase, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma mansoni	cathepsin D (A01 family)	Get druggable targets OG5_126885	All targets in OG5_126885
Neospora caninum	Renin, related	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma japonicum	Cathepsin D precursor, putative	Get druggable targets OG5_126885	All targets in OG5_126885

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	plasmepsin X	renin	406 aa	352 aa	26.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0157	0.0479
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0051	0.0157	0.0479
Echinococcus multilocularis	lysine specific demethylase 5A	0.0034	0.0046	0.0046
Schistosoma mansoni	hypothetical protein	0.0079	0.0339	0.3116
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0051	0.0157	0.0479
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0051	0.0157	0.0157
Loa Loa (eye worm)	steroid hormone receptor	0.0051	0.0157	0.0479
Loa Loa (eye worm)	jmjC domain-containing protein	0.0034	0.0046	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0157	0.0479
Schistosoma mansoni	hypothetical protein	0.0079	0.0339	0.3116
Schistosoma mansoni	hypothetical protein	0.0079	0.0339	0.3116
Echinococcus granulosus	Niemann Pick C1 protein	0.0274	0.1601	1
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0053	0.5
Loa Loa (eye worm)	hypothetical protein	0.0192	0.1067	0.3259
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0051	0.0157	0.0157
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0028	0.0008	0.0008
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0053	0.5
Toxoplasma gondii	aspartyl protease ASP1	0.0059	0.0207	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0192	0.1067	0.1067
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0051	0.0157	0.0456
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0093	0.0424	0.2652
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0046	0.0124	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0051	0.0157	0.1443
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0046	0.0124	1
Onchocerca volvulus		0.0035	0.0053	0.0138
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0046	0.0124	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0053	0.0161
Leishmania major	4-coumarate:coa ligase-like protein	0.0046	0.0124	1
Brugia malayi	AMP-binding enzyme family protein	0.0046	0.0124	0.0378
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0051	0.0157	0.0479
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0048	0.0147
Echinococcus granulosus	ecdysone induced protein 78C	0.0051	0.0157	0.0979
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0051	0.0157	0.0479
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0053	0.2259
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0157	0.0479
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0053	0.0485
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0051	0.0157	0.0479
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0053	0.0161
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0051	0.0157	0.0157
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0114	0.0349
Brugia malayi	steroid hormone receptor	0.0051	0.0157	0.0479
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0157	0.0479
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0034	0.0046	0.0425
Echinococcus granulosus	sterol regulatory element binding protein	0.0082	0.0358	0.2235
Echinococcus granulosus	Protein patched homolog 1	0.0082	0.0358	0.2235
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0051	0.0157	0.1443
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0124	0.0378
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0051	0.0157	0.0479
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0059	0.0207	0.0207
Brugia malayi	beta-lactamase	0.0035	0.0053	0.0161
Onchocerca volvulus		0.0035	0.0053	0.0138
Plasmodium falciparum	plasmepsin II	0.0059	0.0207	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0046	0.0124	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0051	0.0157	0.0157
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0051	0.0157	0.0479
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0195	0.1086	1
Echinococcus granulosus	g protein coupled receptor	0.0131	0.0671	0.4193
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0059	0.0207	0.1293
Brugia malayi	AMP-binding enzyme family protein	0.0046	0.0124	0.0378
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0053	0.0161
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0059	0.0207	0.5058
Echinococcus multilocularis	FTZ F1 alpha	0.0051	0.0157	0.0157
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0114	0.0349
Brugia malayi	jmjC domain containing protein	0.0034	0.0046	0.0141
Onchocerca volvulus	Bile acid receptor homolog	0.0532	0.3274	1
Plasmodium falciparum	plasmepsin IV	0.0059	0.0207	1
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0053	0.0161
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0051	0.0157	0.0479
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0053	0.061
Schistosoma mansoni	cathepsin D (A01 family)	0.0174	0.0952	0.8766
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0046	0.0124	1
Onchocerca volvulus		0.0046	0.0124	0.0355
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0051	0.0157	0.0479
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0059	0.0207	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0053	0.0161
Loa Loa (eye worm)	PHD-finger family protein	0.0028	0.0008	0.0023
Leishmania major	4-coumarate:coa ligase-like protein	0.0046	0.0124	1
Onchocerca volvulus		0.0035	0.0053	0.0138
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0051	0.0157	0.0157
Brugia malayi	nuclear receptor NHR-88	0.0051	0.0157	0.0479
Brugia malayi	PHD-finger family protein	0.0028	0.0008	0.0023
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0114	0.1053
Onchocerca volvulus		0.0148	0.0782	0.2371
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0053	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0038	0.0116
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.0575	0.1755
Echinococcus multilocularis	g protein coupled receptor	0.0131	0.0671	0.0671
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0114	0.0715
Schistosoma mansoni	jumonji domain containing protein	0.0074	0.0301	0.2772
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0051	0.0157	0.1443
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0053	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0053	0.0161
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0034	0.0048	0.0098
Plasmodium falciparum	acyl-CoA synthetase	0.0034	0.0048	0.2027
Plasmodium vivax	plasmepsin IV, putative	0.0059	0.0207	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0046	0.0124	1
Mycobacterium ulcerans	hypothetical protein	0.0046	0.0124	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0053	0.061
Echinococcus multilocularis	expressed conserved protein	0.018	0.0992	0.0992
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0046	0.0124	0.072
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0051	0.0157	0.1443
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0051	0.0157	0.0479
Onchocerca volvulus		0.0131	0.0671	0.2031
Onchocerca volvulus	Protein ultraspiracle homolog	0.0051	0.0157	0.0456
Toxoplasma gondii	ABC1 family protein	0.0035	0.0053	0.2259
Echinococcus granulosus	Niemann Pick C1 protein	0.0192	0.1067	0.6668
Echinococcus granulosus	FTZ F1 alpha	0.0051	0.0157	0.0979
Plasmodium falciparum	plasmepsin VI	0.0059	0.0207	1
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0082	0.0358	0.1093
Mycobacterium ulcerans	lipase LipD	0.0035	0.0053	0.061
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0157	0.0479
Echinococcus multilocularis	peregrin	0.0028	0.0008	0.0008
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0053	0.0135
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0051	0.0157	0.0479
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0053	0.061
Brugia malayi	MH2 domain containing protein	0.0116	0.0575	0.1755
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0051	0.0157	0.0157
Brugia malayi	photoreceptor-specific nuclear receptor	0.0051	0.0157	0.0479
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0048	0.0147
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0053	0.0135
Echinococcus multilocularis	sterol regulatory element binding protein	0.0082	0.0358	0.0358
Schistosoma mansoni	RAR-like nuclear receptor	0.0051	0.0157	0.1443
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0051	0.0316
Mycobacterium ulcerans	acyl-CoA synthetase	0.0046	0.0124	1
Echinococcus granulosus	jumonji domain containing protein	0.0039	0.0079	0.0496
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0051	0.0157	0.0479
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0051	0.0157	0.1443
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0038	0.0116
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0051	0.0157	0.0979
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0051	0.0465
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0051	0.0157	0.0979
Loa Loa (eye worm)	jmjC domain-containing protein	0.0058	0.0203	0.0619
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0028	0.0008	0.0071
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0137	0.0418
Brugia malayi	AMP-binding enzyme family protein	0.0046	0.0124	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0137	0.0418
Echinococcus granulosus	7tm_1 domain containing protein	0.0133	0.0686	0.4287
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0051	0.0051
Schistosoma mansoni	thyroid hormone receptor	0.0051	0.0157	0.1443
Plasmodium vivax	acyl-CoA synthetase, putative	0.0034	0.0048	0.2027
Schistosoma mansoni	retinoic acid receptor RXR	0.0051	0.0157	0.1443
Brugia malayi	CHE-14 protein	0.0082	0.0358	0.1093
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0053	0.0485
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0137	0.0418
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0046	0.0124	0.072
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0093	0.0424	0.0424
Brugia malayi	hypothetical protein	0.0035	0.0051	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0008	0.0023
Leishmania major	4-coumarate:coa ligase-like protein	0.0046	0.0124	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0051	0.0157	0.0479
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0053	0.0329
Echinococcus granulosus	lysine specific demethylase 5A	0.0034	0.0046	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0207	0.0632
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0051	0.0157	0.0979
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0051	0.0157	0.0479
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0137	0.0418
Loa Loa (eye worm)	hypothetical protein	0.0148	0.0782	0.2389
Schistosoma mansoni	hypothetical protein	0.0033	0.0038	0.0349
Giardia lamblia	PHD finger protein 15	0.0028	0.0008	0.5
Schistosoma mansoni	patched 1	0.0082	0.0358	0.3293
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0051	0.0157	0.0479
Loa Loa (eye worm)	hypothetical protein	0.0532	0.3274	1
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0053	0.0135
Schistosoma mansoni	coup transcription factor	0.0051	0.0157	0.1443
Brugia malayi	Bromodomain containing protein	0.0028	0.0008	0.0023
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0051	0.0157	0.0979
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0053	0.0053
Echinococcus granulosus	PHD finger protein rhinoceros	0.0028	0.0008	0.0048
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0114	0.0114
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0051	0.0157	0.0479
Brugia malayi	Niemann-Pick C1 protein precursor	0.0192	0.1067	0.3259
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0478	0.1459
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0671	0.205
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0046	0.0124	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0048	0.0147
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0053	0.061
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.0575	0.1755
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0046	0.0124	0.0705
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0053	0.0135
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0051	0.0157	0.0479
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0225	0.1283	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0051	0.0157	0.0157
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0034	0.0046	0.0425
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0053	0.0161
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0059	0.0207	0.0632
Plasmodium vivax	aspartyl proteinase, putative	0.0059	0.0207	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0048	0.0147
Mycobacterium ulcerans	acyl-CoA synthetase	0.0046	0.0124	1
Echinococcus granulosus	expressed conserved protein	0.018	0.0992	0.6197
Brugia malayi	beta-lactamase family protein	0.0035	0.0053	0.0161
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0114	0.1053
Onchocerca volvulus		0.0051	0.0157	0.0456
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0051	0.0157	0.1443
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0157	0.0479
Brugia malayi	jmjC domain containing protein	0.0093	0.0424	0.1296
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0053	0.0135
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0114	0.0114
Entamoeba histolytica	acyl-coA synthetase, putative	0.0046	0.0124	0.072
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0053	0.0135
Brugia malayi	nuclear hormone receptor	0.0051	0.0157	0.0479
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0034	0.0048	0.5
Brugia malayi	Steroid receptor seven-up type 2	0.0051	0.0157	0.0479
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0358	0.1093
Schistosoma mansoni	hypothetical protein	0.0079	0.0339	0.3116
Brugia malayi	beta-lactamase family protein	0.0035	0.0053	0.0161
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0192	0.1067	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0124	0.0378
Echinococcus multilocularis	Niemann Pick C1 protein	0.0274	0.1601	0.1601
Trichomonas vaginalis	conserved hypothetical protein	0.0082	0.0358	1
Brugia malayi	hypothetical protein	0.0148	0.0782	0.2389
Schistosoma mansoni	hypothetical protein	0.0028	0.0008	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0053	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0048	0.0147
Brugia malayi	Nuclear hormone receptor-like 1	0.0051	0.0157	0.0479
Echinococcus multilocularis	protein dispatched 1	0.0094	0.0433	0.0433
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0051	0.0157	0.0479
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0051	0.0157	0.1443
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0124	0.0378
Schistosoma mansoni	nuclear hormone receptor	0.0051	0.0157	0.1443
Plasmodium falciparum	plasmepsin I	0.0059	0.0207	1
Schistosoma mansoni	thyroid hormone receptor	0.0051	0.0157	0.1443
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0051	0.0157	0.0979
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0051	0.0157	0.0979
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0051	0.0157	0.0979
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0053	0.0135
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0114	0.0715
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0114	0.1053
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0053	0.0135
Schistosoma mansoni	cathepsin D (A01 family)	0.0174	0.0952	0.8766
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0053	0.0161
Echinococcus multilocularis	protein patched	0.0082	0.0358	0.0358
Echinococcus granulosus	peregrin	0.0028	0.0008	0.0048
Echinococcus multilocularis	jumonji domain containing protein	0.0039	0.0079	0.0079
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0051	0.0157	0.0479
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0053	0.0135
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0046	0.0124	0.0705
Brugia malayi	ecdysteroid receptor	0.0532	0.3274	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0139	0.0423
Schistosoma mansoni	hypothetical protein	0.0035	0.0051	0.0465
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0051	0.0157	0.0479
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0059	0.0207	0.1905
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0157	0.0479
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0051	0.0157	0.0157

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 410 nM	Inhibitory activity against renin in fluorescent tGFP assay	ChEMBL.	16143527
IC50 (binding)	= 410 nM	Inhibitory activity against renin in fluorescent tGFP assay	ChEMBL.	16143527

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.

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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 341536