TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 593.798 | Formula: C31H55N5O6
H donors: 6 H acceptors: 6 LogP: 5.12 Rotable bonds: 20
Rule of 5 violations (Lipinski): 3
SMILES: CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@H]([C@H](CC(C)C)O)O)CC1CCCCC1)Cc1c[nH]cn1)NC(=O)OC(C)(C)C)C
InChi: 1S/C31H55N5O6/c1-19(2)13-24(36-30(41)42-31(5,6)7)28(39)35-25(16-22-17-32-18-33-22)29(40)34-23(15-21-11-9-8-10-12-21)27(38)26(37)14-20(3)4/h17-21,23-27,37-38H,8-16H2,1-7H3,(H,32,33)(H,34,40)(H,35,39)(H,36,41)/t23-,24-,25-,26-,27+/m0/s1
InChiKey: IGJMWGUHBVBEBD-JSLVBRCRSA-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
Schistosoma mansoni	cathepsin D (A01 family)	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium knowlesi	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 falciparum	plasmepsin VI	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
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 berghei	plasmepsin IV	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium berghei	plasmepsin VI	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	plasmepsin	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	hypothetical protein	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
Theileria parva	pepsinogen, putative	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
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	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
Schistosoma japonicum	Cathepsin D precursor, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin I	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
Loa Loa (eye worm)	hypothetical protein	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 knowlesi	aspartyl protease, putative	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
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	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 yoelii	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
Plasmodium falciparum	plasmepsin II	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
Toxoplasma gondii	aspartyl proteinase (eimepsin), 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
Plasmodium vivax	aspartyl proteinase, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin IV	Get druggable targets OG5_126885	All targets in OG5_126885
Neospora caninum	Renin, related	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
Wolbachia endosymbiont of Brugia malayi	Acetyl/propionyl-CoA carboxylase, alpha subunit	0.0417	0.2512	1
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0059	0.0238	0.0362
Echinococcus multilocularis	sodium:hydrogen exchanger	0.0088	0.0422	0.039
Schistosoma mansoni	6-phosphofructokinase	0.0107	0.0541	0.0749
Echinococcus multilocularis	sodium:hydrogen exchanger 2 (nhe2)	0.0088	0.0422	0.039
Giardia lamblia	Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative	0.0187	0.1049	1
Mycobacterium ulcerans	acetyl/propionyl CoA carboxylase subunit beta	0.0148	0.0806	0.3207
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0037	0.0097	0.0232
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2	0.0417	0.2512	1
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0037	0.0097	0.0142
Toxoplasma gondii	pyruvate carboxylase	0.0417	0.2512	0.3642
Schistosoma mansoni	aspartate carbamoyltransferase	0.0094	0.0462	0.0633
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0264	0.0341
Trichomonas vaginalis	phosphofructokinase, putative	0.0107	0.0541	1
Chlamydia trachomatis	acetyl-CoA carboxylase biotin carboxyl carrier protein	0.0038	0.0107	0.0272
Loa Loa (eye worm)	sodium/hydrogen exchanger 3 family protein	0.0088	0.0422	0.0641
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0264	0.0341
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0037	0.0097	0.0387
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0059	0.0238	0.0206
Echinococcus granulosus	sodium:hydrogen exchanger 2 nhe2	0.0088	0.0422	0.0573
Echinococcus multilocularis	sodium:hydrogen exchanger	0.0088	0.0422	0.039
Echinococcus granulosus	sodium:hydrogen exchanger 2 nhe2	0.0088	0.0422	0.0573
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0148	0.0116
Schistosoma mansoni	hypothetical protein	0.0166	0.092	0.1307
Plasmodium falciparum	plasmepsin II	0.0059	0.0238	0.0395
Leishmania major	dihydrolipoamide branched chain transacylase, putative	0.0038	0.0107	0.0157
Trichomonas vaginalis	phosphofructokinase, putative	0.0107	0.0541	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide acyltransferase E2 component	0.0038	0.0107	0.0041
Brugia malayi	dihydrolipoamide S-acetyltransferase precursor, putative	0.0038	0.0107	0.0163
Mycobacterium leprae	Dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase complex SucB	0.0038	0.0107	0.0384
Toxoplasma gondii	dihydrolipoamide acyltransferase, putative	0.0038	0.0107	0.0089
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0107	0.0541	0.2119
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0059	0.009
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0037	0.0097	0.1015
Brugia malayi	RNA binding protein	0.0063	0.0264	0.0402
Echinococcus multilocularis	Biotin lipoyl attachment	0.0038	0.0107	0.0075
Loa Loa (eye worm)	inositol-1	0.0037	0.0097	0.0148
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0097	0.0095
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0037	0.0097	0.0094
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0107	0.0541	0.1298
Echinococcus multilocularis	sodium:hydrogen exchanger 2 (nhe2)	0.0088	0.0422	0.039
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 4 AccD4	0.0148	0.0806	0.3207
Schistosoma mansoni	cathepsin D (A01 family)	0.0174	0.0968	0.1378
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0011	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0422	0.0641
Schistosoma mansoni	carbamoyl-phosphate synthetase	0.0094	0.0462	0.0633
Schistosoma mansoni	pyruvate carboxylase	0.0417	0.2512	0.3655
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0011	0.0017
Toxoplasma gondii	acyl-CoA carboxyltransferase beta chain, putative	0.0148	0.0806	0.1121
Onchocerca volvulus	Sodium\/hydrogen exchanger homolog	0.0088	0.0422	1
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0264	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0107	0.0163
Plasmodium vivax	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0793	0.4896	1
Brugia malayi	hypothetical protein	0.0236	0.136	0.2068
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0264	0.0341
Leishmania major	propionyl-coa carboxylase beta chain, putative	0.0148	0.0806	0.1182
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0011	0.0017
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 5 AccD5	0.0148	0.0806	0.3207
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0097	0.0095
Plasmodium falciparum	plasmepsin VI	0.0059	0.0238	0.0395
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0148	0.0806	0.1933
Mycobacterium ulcerans	hypothetical protein	0.0038	0.0107	0.0426
Echinococcus multilocularis	acetyl coenzyme A carboxylase 1	0.1095	0.6818	0.6808
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0245	0.0974
Trichomonas vaginalis	phosphofructokinase, putative	0.0107	0.0541	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0148	0.017
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0245	0.0974
Treponema pallidum	pyruvate carboxylase subunit B	0.0038	0.0107	0.1224
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0107	0.0163
Echinococcus multilocularis	survival motor neuron protein 1	0.0236	0.136	0.1332
Onchocerca volvulus		0.0027	0.0033	0.0531
Giardia lamblia	Sodium/hydrogen exchanger 3	0.0088	0.0422	0.3741
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0059	0.009
Mycobacterium ulcerans	carbamoyl phosphate synthase large subunit	0.0094	0.0462	0.1839
Loa Loa (eye worm)	phosphofructokinase	0.0107	0.0541	0.0823
Trypanosoma brucei	acetyl-CoA carboxylase	0.1095	0.6818	1
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0059	0.0238	0.0283
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1	0.0417	0.2512	1
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0037	0.0097	0.1015
Trypanosoma cruzi	2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative	0.0038	0.0107	0.0257
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0264	0.0402
Leishmania major	2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative	0.0038	0.0107	0.0157
Trypanosoma cruzi	dihydrolipoamide branched chain transacylase, putative	0.0038	0.0107	0.0257
Schistosoma mansoni	hypothetical protein	0.0067	0.0286	0.0373
Trypanosoma brucei	glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative	0.0094	0.0462	0.0678
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0264	0.0402
Schistosoma mansoni	dihydrolipoamide S-acetyltransferase	0.0038	0.0107	0.0109
Plasmodium vivax	dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative	0.0038	0.0107	0.0125
Trypanosoma cruzi	dihydrolipoamide branched chain transacylase, putative	0.0038	0.0107	0.0257
Chlamydia trachomatis	dihydrolipoamide succinyltransferase	0.0038	0.0107	0.0272
Trypanosoma cruzi	acetyl-CoA carboxylase	0.0678	0.4169	1
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0417	0.2512	0.3655
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0097	0.1025
Mycobacterium ulcerans	bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3	0.0417	0.2512	1
Brugia malayi	Carboxyl transferase domain containing protein	0.1057	0.6574	1
Entamoeba histolytica	phosphofructokinase, putative	0.0107	0.0541	0.5104
Echinococcus granulosus	propionyl coenzyme A carboxylase beta chain	0.0148	0.0806	0.1139
Echinococcus multilocularis	sodium:hydrogen exchanger 2 (nhe2)	0.0088	0.0422	0.039
Mycobacterium leprae	ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6	0.0148	0.0806	0.3178
Onchocerca volvulus		0.0027	0.0033	0.0531
Schistosoma mansoni	carbamoyl-phosphate synthetase	0.0094	0.0462	0.0633
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0481	0.0732
Toxoplasma gondii	aspartyl protease ASP1	0.0059	0.0238	0.0283
Onchocerca volvulus	Sodium\/hydrogen exchanger homolog	0.0088	0.0422	1
Echinococcus multilocularis	dihydrolipoyllysine residue succinyltransferase	0.0038	0.0107	0.0075
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0097	0.0481	0.0732
Echinococcus granulosus	sodium:hydrogen exchanger 2 nhe2	0.0088	0.0422	0.0573
Toxoplasma gondii	acetyl-CoA carboxylase ACC1	0.1095	0.6818	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0011	0.0017
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0245	0.0213
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0148	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0097	0.0147
Leishmania major	dihydrolipoamide acetyltransferase precursor, putative	0.0038	0.0107	0.0157
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0097	0.0481	0.0732
Echinococcus granulosus	propionyl coenzyme A carboxylase alpha chain	0.0417	0.2512	0.3655
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0245	0.0312
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0059	0.0026
Echinococcus multilocularis	dihydrolipoyllysine residue acetyltransferase	0.0038	0.0107	0.0075
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0097	0.0142
Schistosoma mansoni	hypothetical protein	0.0048	0.0169	0.02
Schistosoma mansoni	acetyl-CoA carboxylase	0.1095	0.6818	1
Plasmodium vivax	aspartyl proteinase, putative	0.0059	0.0238	0.0395
Schistosoma mansoni	sodium/hydrogen exchanger	0.0088	0.0422	0.0573
Trypanosoma cruzi	dihydrolipoamide acetyltransferase precursor, putative	0.0038	0.0107	0.0257
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0011	0.0016
Echinococcus granulosus	dihydrolipoyllysine residue succinyltransferase	0.0038	0.0107	0.0109
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0107	0.0541	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0033	0.005
Echinococcus granulosus	Biotin lipoyl attachment	0.0038	0.0107	0.0109
Echinococcus granulosus	geminin	0.0166	0.092	0.1307
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0037	0.0097	0.0094
Echinococcus granulosus	sodium:hydrogen exchanger	0.0088	0.0422	0.0573
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0245	0.0359
Chlamydia trachomatis	dihydrolipoamide succinyltransferase	0.0038	0.0107	0.0272
Brugia malayi	sodium/hydrogen exchanger 3 family protein	0.0088	0.0422	0.0641
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0011	0.0017
Plasmodium falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.0793	0.4896	1
Trypanosoma cruzi	2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative	0.0038	0.0107	0.0257
Toxoplasma gondii	biotin-requiring enzyme domain-containing protein	0.0038	0.0107	0.0089
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.0097	0.0065
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0107	0.0541	0.2119
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0148	0.0225
Trypanosoma cruzi	dihydrolipoamide acetyltransferase precursor, putative	0.0038	0.0107	0.0257
Echinococcus multilocularis	propionyl coenzyme A carboxylase alpha chain	0.0417	0.2512	0.2488
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0245	0.0293
Mycobacterium leprae	Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE)	0.0148	0.0806	0.3178
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0245	0.0312
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0033	0.0073	0.0247
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0011	0.0043
Plasmodium vivax	lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative	0.0038	0.0107	0.0125
Plasmodium falciparum	carbamoyl phosphate synthetase	0.0094	0.0462	0.0857
Loa Loa (eye worm)	sodium/hydrogen exchanger	0.0088	0.0422	0.0641
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0011	0.0043
Mycobacterium ulcerans	pyruvate carboxylase	0.0417	0.2512	1
Toxoplasma gondii	dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase	0.0038	0.0107	0.0089
Loa Loa (eye worm)	6-phosphofructokinase	0.0107	0.0541	0.0823
Toxoplasma gondii	acetyl-coA carboxylase ACC2	0.1095	0.6818	1
Plasmodium falciparum	dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex	0.0038	0.0107	0.0125
Leishmania major	carbamoyl-phosphate synthase, putative	0.0094	0.0462	0.0678
Chlamydia trachomatis	acetyl-coenzyme A carboxylase carboxyl transferase subunit beta	0.0148	0.0806	0.3417
Trypanosoma brucei	dihydrolipoamide branched chain transacylase, putative	0.0038	0.0107	0.0157
Loa Loa (eye worm)	6-phosphofructokinase	0.0107	0.0541	0.0823
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0059	0.0238	0.0302
Loa Loa (eye worm)	cytochrome P450 family protein	0.0033	0.0073	0.0111
Brugia malayi	intermediate filament protein	0.0027	0.0033	0.005
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0097	0.0142
Onchocerca volvulus		0.0048	0.0169	0.384
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.0097	0.083
Leishmania major	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0148	0.0806	0.1182
Leishmania major	methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein	0.0417	0.2512	0.3685
Trypanosoma brucei	unspecified product	0.0274	0.1605	0.2354
Brugia malayi	6-phosphofructokinase	0.0107	0.0541	0.0823
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0264	0.0402
Schistosoma mansoni	hypothetical protein	0.0031	0.0059	0.0039
Schistosoma mansoni	hypothetical protein	0.0166	0.092	0.1307
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0011	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0422	0.0641
Entamoeba histolytica	acetyl-coA carboxylase, putative	0.0187	0.1049	1
Plasmodium falciparum	dihydrolipoamide acyltransferase component E2	0.0038	0.0107	0.0125
Echinococcus granulosus	acetyl coenzyme A carboxylase 1	0.1095	0.6818	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0037	0.0097	0.0232
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0097	0.0233
Brugia malayi	TAR-binding protein	0.0063	0.0264	0.0402
Schistosoma mansoni	dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase	0.0038	0.0107	0.0109
Schistosoma mansoni	hypothetical protein	0.0031	0.0059	0.0039
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0097	0.1025
Echinococcus multilocularis	ubiquitin specific protease 41	0.0037	0.0097	0.0064
Brugia malayi	Inositol-1	0.0037	0.0097	0.0148
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0245	0.0934
Mycobacterium ulcerans	acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3	0.0148	0.0806	0.3207
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.0097	0.1025
Echinococcus granulosus	sodium:hydrogen exchanger	0.0088	0.0422	0.0573
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0264	0.0341
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0011	0.0016
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.0097	0.0095
Mycobacterium leprae	Probable biotinylated protein homolog TB7.3	0.0038	0.0107	0.0384
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0417	0.2512	0.6027
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E2	0.0038	0.0107	0.0089
Echinococcus granulosus	sodium:hydrogen exchanger 2 (nhe2)	0.0071	0.0315	0.0416
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0059	0.0039
Brugia malayi	phosphofructokinase	0.0107	0.0541	0.0823
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0097	0.1015
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0245	0.0974
Trypanosoma cruzi	acetyl-CoA carboxylase, putative	0.0148	0.0806	0.1933
Schistosoma mansoni	6-phosphofructokinase	0.0107	0.0541	0.0749
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0417	0.2512	0.3685
Trypanosoma cruzi	glutamine-dependent carbamoyl-phosphate synthetase, putative	0.0094	0.0462	0.1109
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0037	0.0097	0.0064
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0037	0.0097	0.0825
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0148	0.017
Toxoplasma gondii	carbamoylphosphate synthetase	0.0094	0.0462	0.0614
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0169	0.02
Echinococcus multilocularis	propionyl coenzyme A carboxylase beta chain	0.0148	0.0806	0.0776
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0059	0.0238	0.0302
Trypanosoma cruzi	glutamine dependent carbamoyl-phosphate synthase, putative	0.0094	0.0462	0.1109
Brugia malayi	Cytochrome P450 family protein	0.0033	0.0073	0.0111
Schistosoma mansoni	dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase	0.0038	0.0107	0.0109
Mycobacterium leprae	Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase)	0.0148	0.0806	0.3178
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0033	0.005
Leishmania major	dihydrolipoamide acetyltransferase precursorlike protein	0.0038	0.0107	0.0157
Echinococcus multilocularis	geminin	0.0166	0.092	0.089
Echinococcus granulosus	ubiquitin specific protease 41	0.0037	0.0097	0.0094
Mycobacterium ulcerans	6-phosphofructokinase	0.0107	0.0541	0.2153
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	0.1057	0.6574	1
Mycobacterium ulcerans	dihydrolipoamide acetyltransferase	0.0038	0.0107	0.0426
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0245	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0011	0.0017
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0148	0.0116
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0107	0.0541	0.0793
Mycobacterium tuberculosis	Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie	0.0417	0.2512	1
Plasmodium vivax	plasmepsin IV, putative	0.0059	0.0238	0.0395
Entamoeba histolytica	phosphofructokinase, putative	0.0107	0.0541	0.5104
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0417	0.2512	0.3655
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0037	0.0097	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0107	0.0163
Mycobacterium tuberculosis	Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6	0.0148	0.0806	0.3178
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0037	0.0097	0.0094
Echinococcus multilocularis	6 phosphofructokinase	0.0107	0.0541	0.051
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0264	0.0402
Wolbachia endosymbiont of Brugia malayi	carbamoyl phosphate synthase large subunit	0.0094	0.0462	0.1511
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0011	0.0043
Mycobacterium leprae	Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP)	0.0417	0.2512	1
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0059	0.0238	0.3872
Plasmodium falciparum	lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex	0.0038	0.0107	0.0125
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0169	0.0257
Brugia malayi	Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta	0.0038	0.0107	0.0163
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0148	0.0806	0.1933
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0238	0.0362
Wolbachia endosymbiont of Brugia malayi	branched-chain alpha-keto acid dehydrogenase subunit E2	0.0038	0.0107	0.0041
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0011	0.0043
Plasmodium vivax	carbamoyl phosphate synthetase, putative	0.0094	0.0462	0.0857
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0011	0.0043
Brugia malayi	Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor	0.0038	0.0107	0.0163
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0148	0.017
Schistosoma mansoni	cathepsin D (A01 family)	0.0174	0.0968	0.1378
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0264	0.0341
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0059	0.009
Leishmania major	carboxylase, putative	0.0417	0.2512	0.3685
Schistosoma mansoni	hypothetical protein	0.0031	0.0059	0.0039
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0033	0.0073	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0236	0.136	0.2068
Entamoeba histolytica	phosphofructokinase, putative	0.0107	0.0541	0.5104
Plasmodium falciparum	plasmepsin I	0.0059	0.0238	0.0395
Chlamydia trachomatis	dihydrolipoamide acetyltransferase	0.0038	0.0107	0.0272
Mycobacterium tuberculosis	Probable branched-chain keto acid dehydrogenase E2 component BkdC	0.0038	0.0107	0.0384
Echinococcus granulosus	GPCR family 2	0.0031	0.0059	0.0039
Echinococcus granulosus	dihydrolipoyllysine residue acetyltransferase	0.0038	0.0107	0.0109
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0264	0.0341
Trypanosoma cruzi	dihydrolipoamide acetyltransferase, putative	0.0038	0.0107	0.0257
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0011	0.0043
Mycobacterium ulcerans	branched-chain alpha-keto acid dehydrogenase subunit E2	0.0038	0.0107	0.0426
Onchocerca volvulus	Sodium\/hydrogen exchanger homolog	0.0088	0.0422	1
Mycobacterium tuberculosis	Probable pyruvate carboxylase Pca (pyruvic carboxylase)	0.0417	0.2512	1
Trypanosoma brucei	dihydrolipoamide acetyltransferase E2 subunit, putative	0.0038	0.0107	0.0157
Schistosoma mansoni	sodium/hydrogen exchanger 2 (nhe2)	0.0088	0.0422	0.0573
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0037	0.0097	0.0142
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0033	0.005
Leishmania major	acetyl-CoA carboxylase, putative	0.1095	0.6818	1
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0037	0.0097	0.0094
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0059	0.0026
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.0286	0.0435
Mycobacterium tuberculosis	Biotinylated protein TB7.3	0.0038	0.0107	0.0384
Loa Loa (eye worm)	hypothetical protein	0.0026	0.003	0.0045
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 4 AccD4_2	0.0148	0.0806	0.3207
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0029	0.0046	0.0342
Mycobacterium ulcerans	acetyl-/propionyl-CoA carboxylase subunit beta	0.0148	0.0806	0.3207
Echinococcus granulosus	survival motor neuron protein 1	0.0236	0.136	0.1956
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0059	0.0039
Plasmodium falciparum	plasmepsin IV	0.0059	0.0238	0.0395
Leishmania major	ATP-dependent phosphofructokinase	0.0107	0.0541	0.0793
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0286	0.0435
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0059	0.009
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0148	0.017
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0011	0.0043
Trypanosoma brucei	2-oxoglutarate dehydrogenase E2 component, putative	0.0038	0.0107	0.0157
Schistosoma mansoni	dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase	0.0038	0.0107	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0033	0.005
Trypanosoma brucei	pyruvate dehydrogenase complex E3 binding protein, putative	0.0038	0.0107	0.0157
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0037	0.0097	0.0064
Wolbachia endosymbiont of Brugia malayi	Acetyl-CoA carboxylase, carboxyltransferase component	0.0148	0.0806	0.2934
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0417	0.2512	0.3685
Loa Loa (eye worm)	NHE-3	0.0088	0.0422	0.0641
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0422	0.0641
Toxoplasma gondii	2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein	0.0038	0.0107	0.0089
Chlamydia trachomatis	biotin carboxylase	0.0379	0.2269	1
Schistosoma mansoni	propionyl-CoA carboxylase beta chain mitochondrial precursor	0.0148	0.0806	0.1139
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0097	0.0481	0.0732
Mycobacterium tuberculosis	Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase)	0.0148	0.0806	0.3178
Trypanosoma brucei	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0148	0.0806	0.1182
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0097	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0011	0.0017
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0037	0.0097	0.05
Schistosoma mansoni	hypothetical protein	0.0031	0.0059	0.0039
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0417	0.2512	0.6027
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0148	0.017
Echinococcus granulosus	6 phosphofructokinase	0.0107	0.0541	0.0749
Echinococcus multilocularis	sodium:hydrogen exchanger 2 (nhe2)	0.0071	0.0315	0.0283
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0059	0.0026
Mycobacterium tuberculosis	DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase	0.0038	0.0107	0.0384
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0037	0.0097	0.0075
Brugia malayi	6-phosphofructokinase	0.0107	0.0541	0.0823
Trichomonas vaginalis	phosphofructokinase, putative	0.0107	0.0541	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1 nM	In vitro inhibitory activity was tested against purified human renal renin	ChEMBL.	3143009
Inhibition (binding)	= 0 %	In vitro Inhibitory activity of the compound was tested against Bovine cathepsin D at 10e-5 (M)	ChEMBL.	3143009
Inhibition (binding)	= 0 %	In vitro Inhibitory activity of the compound was tested against porcine Pepsin at 10e-5 (M)	ChEMBL.	3143009
Inhibition (binding)	= 0 %	In vitro inhibitory activity against Human pepsin at 10e-5 M	ChEMBL.	3143009
Inhibition (binding)	= 0 %	In vitro Inhibitory activity of the compound was tested against human Gastricsin at 10e-5 (M)	ChEMBL.	3143009
Inhibition (binding)	= 44 %	In vitro Inhibitory activity of the compound against Renin at 10e-5 (M)	ChEMBL.	3143009

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: CHEMBL3348542

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 940374