TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 455.206 | Formula: C24H29N3O6
H donors: 3 H acceptors: 4 LogP: 1.99 Rotable bonds: 15
Rule of 5 violations (Lipinski): 0
SMILES: COC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C)C
InChi: InChI=1S/C24H29N3O6/c1-16(26-24(31)33-15-19-12-8-5-9-13-19)21(28)27-20(14-18-10-6-4-7-11-18)22(29)25-17(2)23(30)32-3/h4-13,16-17,20H,14-15H2,1-3H3,(H,25,29)(H,26,31)(H,27,28)/t16-,17-,20-/m0/s1
InChiKey: MNEVDKRAFIKSBY-ZWOKBUDYSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0052	0.0146	0.0138
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0032	0.0024
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0183	0.0631	0.0631
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0015	0.0008	0.0008
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0162	0.0555	0.4654
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0049	0.0133	0.0125
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0015	0.0008	0.0069
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0039	0.0097	0.0089
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0183	0.0631	0.0624
Echinococcus granulosus	sterol regulatory element binding protein	0.0093	0.0299	0.2478
Echinococcus multilocularis	protein dispatched 1	0.0107	0.0348	0.0513
Mycobacterium ulcerans	short chain dehydrogenase	0.0183	0.0631	0.0624
Plasmodium vivax	replication factor C subunit 1, putative	0.0022	0.0032	0.0032
Brugia malayi	chromobox protein homolog 3	0.0045	0.0118	0.1
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0183	0.0631	0.0624
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0015	0.0008	0.0008
Giardia lamblia	Histone acetyltransferase GCN5	0.0045	0.0118	1
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0183	0.0631	0.0624
Leishmania major	4-coumarate:coa ligase-like protein	0.0052	0.0146	0.2215
Leishmania major	pteridine reductase 1	0.0183	0.0631	1
Trichomonas vaginalis	replication factor C large subunit, putative	0.0022	0.0032	0.0024
Echinococcus granulosus	nibrin	0.0022	0.0032	0.0203
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0183	0.0631	0.5341
Toxoplasma gondii	ATPase, AAA family protein	0.0022	0.0032	0.0032
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0032	0.0024
Echinococcus granulosus	geminin	0.018	0.0621	0.5223
Schistosoma mansoni	topbp1	0.0022	0.0032	0.031
Schistosoma mansoni	hypothetical protein	0.018	0.0621	0.7997
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0052	0.0146	0.183
Trichomonas vaginalis	chromobox protein, putative	0.0048	0.0131	0.0123
Mycobacterium ulcerans	20-beta-hydroxysteroid dehydrogenase FabG3	0.0183	0.0631	0.0624
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0069	0.0061
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.0146	0.0138
Echinococcus multilocularis	chromobox protein 1	0.008	0.0249	0.0364
Brugia malayi	CHE-14 protein	0.0093	0.0299	0.253
Mycobacterium leprae	3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI	0.0183	0.0631	0.0624
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0048	0.0131	0.2073
Entamoeba histolytica	acyl-coA synthetase, putative	0.0052	0.0146	0.183
Echinococcus multilocularis	protein patched	0.0093	0.0299	0.0439
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.0089	0.0089
Echinococcus multilocularis	muscleblind protein	0.033	0.1182	0.1771
Echinococcus granulosus	chromobox protein 1	0.008	0.0249	0.2055
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0015	0.0008	0.0008
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0015	0.0008	0.0008
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.0146	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0082	0.0694
Echinococcus multilocularis	muscleblind protein 1	0.033	0.1182	0.1771
Brugia malayi	Heterochromatin protein 1	0.008	0.0249	0.211
Plasmodium vivax	acyl-CoA synthetase, putative	0.0039	0.0097	0.0097
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0045	0.0118	0.1872
Toxoplasma gondii	3-ketoacyl-(acyl-carrier-protein) reductase	0.0183	0.0631	0.0631
Schistosoma mansoni	patched 1	0.0093	0.0299	0.3794
Plasmodium falciparum	acyl-CoA synthetase	0.0039	0.0097	0.0097
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.0022	0.0032	0.0024
Loa Loa (eye worm)	hypothetical protein	0.033	0.1182	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0183	0.0631	0.0624
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0015	0.0008	0.0069
Mycobacterium ulcerans	oxidoreductase	0.0183	0.0631	0.0624
Echinococcus multilocularis	sterol regulatory element binding protein	0.0093	0.0299	0.0439
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0183	0.0631	1
Echinococcus granulosus	muscleblind protein	0.033	0.1182	1
Echinococcus granulosus	3 oxoacyl acyl carrier protein reductase	0.0183	0.0631	0.5309
Schistosoma mansoni	hypothetical protein	0.018	0.0621	0.7997
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0015	0.0008	0.0008
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0039	0.0097	0.0065
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0022	0.0032	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0097	0.0819
Mycobacterium ulcerans	short chain dehydrogenase	0.0183	0.0631	0.0624
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0299	0.253
Onchocerca volvulus		0.0035	0.0082	0.1299
Mycobacterium ulcerans	3-oxoacyl-ACP reductase	0.0183	0.0631	0.0624
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0118	0.011
Mycobacterium tuberculosis	Possible oxidoreductase	0.0183	0.0631	0.0631
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0183	0.0631	1
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0015	0.0008	0.0069
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.0089	0.0089
Echinococcus multilocularis	geminin	0.018	0.0621	0.0925
Mycobacterium ulcerans	short chain dehydrogenase	0.0183	0.0631	0.0624
Schistosoma mansoni	hypothetical protein	0.009	0.0286	0.363
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0032	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0118	0.1
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0032	0.0024
Trichomonas vaginalis	conserved hypothetical protein	0.0093	0.0299	0.0291
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0052	0.0146	0.0138
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0022	0.0032	0.0024
Onchocerca volvulus		0.0022	0.0032	0.0506
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0097	0.0819
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0032	0.0024
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0183	0.0631	0.0624
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0049	0.0133	0.0133
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0049	0.0133	0.1067
Echinococcus granulosus	expressed conserved protein	0.0205	0.0713	0.6005
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0069	0.0061
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0183	0.0631	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0146	0.1237
Brugia malayi	hypothetical protein	0.0022	0.0032	0.027
Loa Loa (eye worm)	hypothetical protein	0.033	0.1182	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0022	0.0032	0.0381
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0221	0.0775	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0218	0.0762	0.6424
Loa Loa (eye worm)	retinol dehydrogenase 12	0.0183	0.0631	0.5341
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0052	0.0146	0.0138
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0015	0.0008	0.0008
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.0146	0.1237
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.2697	1	1
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0022	0.0032	0.0381
Loa Loa (eye worm)	hypothetical protein	0.0218	0.0762	0.6449
Schistosoma mansoni	topbp1	0.0022	0.0032	0.031
Mycobacterium ulcerans	short chain dehydrogenase	0.0183	0.0631	0.0624
Echinococcus multilocularis	Niemann Pick C1 protein	0.0218	0.0762	0.1138
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0183	0.0631	0.0624
Mycobacterium ulcerans	short chain dehydrogenase	0.0183	0.0631	0.0624
Entamoeba histolytica	hypothetical protein	0.0022	0.0032	0.0315
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0052	0.0146	0.0138
Schistosoma mansoni	chromobox protein	0.008	0.0249	0.3146
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0052	0.0146	0.0138
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0039	0.0097	0.0097
Schistosoma mansoni	hypothetical protein	0.009	0.0286	0.363
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0183	0.0631	0.0631
Echinococcus granulosus	replication factor c subunit 1	0.0022	0.0032	0.0203
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0183	0.0631	0.0624
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0015	0.0008	0.0008
Echinococcus multilocularis	chromobox protein 1	0.008	0.0249	0.0364
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0049	0.0133	0.0125
Brugia malayi	DKFZp564C0469 protein	0.0022	0.0032	0.027
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0022	0.0032	0.0381
Echinococcus granulosus	chromobox protein 1	0.008	0.0249	0.2055
Plasmodium vivax	3-oxoacyl-[acyl-carrier-protein] reductase, putative	0.0183	0.0631	0.0631
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0183	0.0631	0.0631
Echinococcus multilocularis	nibrin	0.0022	0.0032	0.0036
Echinococcus granulosus	Protein patched homolog 1	0.0093	0.0299	0.2478
Trypanosoma cruzi	FHA domain containing protein, putative	0.0022	0.0032	0.0381
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0093	0.0299	0.253
Leishmania major	3-oxoacyl-ACP reductase, putative	0.0183	0.0631	1
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0183	0.0631	0.0624
Schistosoma mansoni	chromobox protein	0.008	0.0249	0.3146
Toxoplasma gondii	propionate-CoA ligase	0.0015	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0146	0.1237
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.0089	0.0089
Mycobacterium tuberculosis	Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase)	0.0183	0.0631	0.0631
Mycobacterium leprae	POSSIBLE OXIDOREDUCTASE	0.0183	0.0631	0.0624
Brugia malayi	Muscleblind-like protein	0.033	0.1182	1
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.0146	0.1237
Plasmodium falciparum	replication factor C subunit 1, putative	0.0022	0.0032	0.0032
Onchocerca volvulus		0.0052	0.0146	0.2316
Chlamydia trachomatis	oxoacy-ACP reductase	0.0183	0.0631	0.0601
Onchocerca volvulus		0.0015	0.0008	0.0129
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0015	0.0008	0.0008
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.0146	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0115	0.0377	0.3193
Mycobacterium ulcerans	short chain dehydrogenase	0.0183	0.0631	0.0624
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0183	0.0631	0.0624
Brugia malayi	AMP-binding enzyme family protein	0.0015	0.0008	0.0069
Echinococcus granulosus	Niemann Pick C1 protein	0.0311	0.1111	0.9391
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.0022	0.0032	0.0024
Brugia malayi	Pax transcription activation domain interacting protein	0.0022	0.0032	0.027
Plasmodium falciparum	enoyl-acyl carrier reductase	0.2697	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0032	0.027
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0097	0.0819
Mycobacterium ulcerans	short chain dehydrogenase	0.0183	0.0631	0.0624
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0032	0.027
Trypanosoma brucei	pteridine reductase 1	0.0183	0.0631	1
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0167	0.0572	0.0851
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0183	0.0631	0.0601
Leishmania major	4-coumarate:coa ligase-like protein	0.0052	0.0146	0.2215
Brugia malayi	AMP-binding enzyme family protein	0.0015	0.0008	0.0069
Toxoplasma gondii	short chain dehydrogenase family protein, putative	0.0183	0.0631	0.0631
Leishmania major	4-coumarate:coa ligase-like protein	0.0052	0.0146	0.2215
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0052	0.0146	0.0146
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0183	0.0631	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0183	0.0631	0.0624
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0032	0.027
Mycobacterium tuberculosis	Possible oxidoreductase	0.0183	0.0631	0.0631
Mycobacterium ulcerans	short chain dehydrogenase	0.0183	0.0631	0.0624
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0022	0.0032	0.0032
Loa Loa (eye worm)	acetyltransferase	0.0167	0.0572	0.4839
Schistosoma mansoni	hypothetical protein	0.009	0.0286	0.363
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0032	0.027
Mycobacterium tuberculosis	Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase)	0.0183	0.0631	0.0631
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0183	0.0631	0.5341
Trypanosoma brucei	oxidoreductase-like protein	0.0183	0.0631	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0183	0.0631	0.5341
Brugia malayi	AMP-binding enzyme family protein	0.0015	0.0008	0.0069
Trypanosoma brucei	beta-ketoacyl-ACP reductase	0.0183	0.0631	1
Treponema pallidum	DNA ligase (lig)	0.0022	0.0032	0.5
Trichomonas vaginalis	chromobox protein, putative	0.008	0.0249	0.0241
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0183	0.0631	0.0631
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0052	0.0146	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0146	0.1237
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0032	0.027
Onchocerca volvulus		0.0015	0.0008	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0008	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0097	0.0819
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0049	0.0133	0.0133
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0183	0.0631	0.0624
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.2697	1	1
Echinococcus multilocularis	3 oxoacyl acyl carrier protein reductase	0.0183	0.0631	0.094
Echinococcus multilocularis	expressed conserved protein	0.0205	0.0713	0.1064
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0183	0.0631	0.0624
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.2697	1	1
Onchocerca volvulus		0.0183	0.0631	1
Schistosoma mansoni	3-oxoacyl-[ACP] reductase	0.0183	0.0631	0.8128
Leishmania major	oxidoreductase-like protein	0.0183	0.0631	1
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.0022	0.0032	0.0315
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.0146	0.1237
Onchocerca volvulus		0.0015	0.0008	0.0129
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.1794	0.6635	1
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0015	0.0008	0.0008
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0167	0.0572	0.7354
Trichomonas vaginalis	chromobox protein, putative	0.0048	0.0131	0.0123
Echinococcus multilocularis	Niemann Pick C1 protein	0.0311	0.1111	0.1664
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.2697	1	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0008	0.0069
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.2697	1	1
Trichomonas vaginalis	hypothetical protein	0.2697	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0015	0.0008	0.0069
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0183	0.0631	0.0624
Trypanosoma cruzi	hypothetical protein, conserved	0.0022	0.0032	0.0381
Loa Loa (eye worm)	oxidoreductase	0.0015	0.0008	0.0069
Entamoeba histolytica	acetyltransferase, GNAT family	0.0045	0.0118	0.146
Schistosoma mansoni	hypothetical protein	0.009	0.0286	0.363
Trichomonas vaginalis	chromobox protein, putative	0.008	0.0249	0.0241
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0022	0.0032	0.0024
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0015	0.0008	0.0008
Echinococcus multilocularis	replication factor c subunit 1	0.0022	0.0032	0.0036
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0015	0.0008	0.0069
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.0022	0.0032	0.027
Schistosoma mansoni	chromosome transmission fidelity factor	0.0022	0.0032	0.031
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0015	0.0008	0.0008
Entamoeba histolytica	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0183	0.0631	0.8264
Plasmodium falciparum	histone acetyltransferase GCN5	0.0045	0.0118	0.0118
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0015	0.0008	0.0008
Plasmodium falciparum	3-oxoacyl-[acyl-carrier-protein] reductase	0.0183	0.0631	0.0631
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0049	0.0133	0.0133
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0015	0.0008	0.0008
Mycobacterium tuberculosis	Probable oxidoreductase	0.0183	0.0631	0.0631
Mycobacterium ulcerans	short chain dehydrogenase	0.0183	0.0631	0.0624
Onchocerca volvulus		0.0183	0.0631	1
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0183	0.0631	0.0624
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0218	0.0762	1
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0183	0.0631	0.0631
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0022	0.0032	0.0024
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0052	0.0146	0.0146
Loa Loa (eye worm)	oxidoreductase	0.0183	0.0631	0.5341
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0118	0.011
Schistosoma mansoni	dihydropteridine reductase	0.0183	0.0631	0.8128
Brugia malayi	Niemann-Pick C1 protein precursor	0.0218	0.0762	0.6449
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0052	0.0146	0.183
Brugia malayi	hypothetical protein	0.0022	0.0032	0.027
Loa Loa (eye worm)	heterochromatin protein 1	0.008	0.0249	0.211
Mycobacterium ulcerans	3-oxoacyl-ACP reductase	0.0183	0.0631	0.0624
Loa Loa (eye worm)	hypothetical protein	0.0183	0.0631	0.5341
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0183	0.0631	0.0624
Brugia malayi	topoisomerase	0.0022	0.0032	0.027
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.2697	1	1
Onchocerca volvulus		0.0015	0.0008	0.0129
Mycobacterium ulcerans	hypothetical protein	0.0052	0.0146	0.0138
Brugia malayi	acetyltransferase, GNAT family protein	0.0167	0.0572	0.4839
Mycobacterium ulcerans	short chain dehydrogenase	0.0183	0.0631	0.0624
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0015	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0032	0.027
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0015	0.0008	0.0008
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0183	0.0631	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.0089	0.0089
Schistosoma mansoni	DNA ligase IV	0.0022	0.0032	0.031
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0183	0.0631	0.0624
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0097	0.0819

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)		Inhibition of trypsin-like activity of human 20S proteasome at 50 uM using Boc-Leu-Arg-Arg-AMC as substrate measured for 10 mins by fluorescence assay relative to control	LITERATURE.	27318981
Inhibition (binding)	= 24 %	Inhibition of post-glutamyl peptide hydrolyzing activity of human 20S proteasome at 50 uM using Cbz-Leu-Leu-Glu-AMC as substrate measured for 10 mins by fluorescence assay relative to control	LITERATURE.	27318981
Inhibition (binding)	= 24 %	Inhibition of chymotrypsin-like activity of human 20S proteasome at 50 uM using Suc-Leu-Leu-Val-Tyr-AMC as substrate measured for 10 mins by fluorescence assay relative to control	LITERATURE.	27318981

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: CHEMBL3956093

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 2142013