TDR Targets

Basic information

Technical information

TDR Targets ID: 1369265
Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(2-phenyleth yl)amino]-N-(furan-2-ylmethyl)-2-(5-methylfur an-2-yl)acetamide
MW: 497.545 | Formula: C28H27N5O4
H donors: 1 H acceptors: 4 LogP: 3.84 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(N(C(=O)Cn1nnc2c1cccc2)CCc1ccccc1)c1ccc(o1)C)NCc1ccco1
InChi: 1S/C28H27N5O4/c1-20-13-14-25(37-20)27(28(35)29-18-22-10-7-17-36-22)32(16-15-21-8-3-2-4-9-21)26(34)19-33-24-12-6-5-11-23(24)30-31-33/h2-14,17,27H,15-16,18-19H2,1H3,(H,29,35)
InChiKey: ZBGCANJOCPQRGP-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

2-[[2-(benzotriazol-1-yl)acetyl]-(2-phenylethyl)amino]-N-(2-furylmethyl)-2-(5-methyl-2-furyl)acetamide
2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(2-phenylethyl)amino]-N-(2-furylmethyl)-2-(5-methyl-2-furyl)acetamide
2-[2-(benzotriazol-1-yl)ethanoyl-(2-phenylethyl)amino]-N-(furan-2-ylmethyl)-2-(5-methylfuran-2-yl)ethanamide
Oprea1_244768
MLS000030683
2-[(2-Benzotriazol-1-yl-acetyl)-phenethyl-amino]-N-furan-2-ylmethyl-2-(5-methyl-furan-2-yl)-acetamide
Oprea1_025991
SMR000004645
ASN 05440717

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	neuropeptide S receptor 1	Starlite/ChEMBL	No references
Homo sapiens	thyroid stimulating hormone receptor	Starlite/ChEMBL	No references
Homo sapiens	ubiquitin specific peptidase 2	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Get druggable targets OG5_136011	All targets in OG5_136011
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_127431	All targets in OG5_127431
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	Get druggable targets OG5_127431	All targets in OG5_127431
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus multilocularis	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Leishmania donovani	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Loa Loa (eye worm)	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	Get druggable targets OG5_127431	All targets in OG5_127431
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	Get druggable targets OG5_127431	All targets in OG5_127431
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Leishmania braziliensis	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus multilocularis	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Schistosoma japonicum	Ubiquitin carboxyl-terminal hydrolase 8, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Leishmania infantum	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	ubiquitin specific protease 41	Get druggable targets OG5_127431	All targets in OG5_127431
Trypanosoma congolense	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127431	All targets in OG5_127431
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	Get druggable targets OG5_127431	All targets in OG5_127431
Trypanosoma brucei gambiense	ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Cryptosporidium parvum	ubiquitin C-terminal hydrolase of the cysteine proteinase fold	Get druggable targets OG5_127431	All targets in OG5_127431
Cryptosporidium hominis	ubiquitin specific protease 66	Get druggable targets OG5_127431	All targets in OG5_127431
Candida albicans	ubiquitin-specific protease	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus granulosus	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127431	All targets in OG5_127431
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Brugia malayi	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Schistosoma japonicum	IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus multilocularis	ubiquitin specific protease 41	Get druggable targets OG5_127431	All targets in OG5_127431
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	Get druggable targets OG5_127431	All targets in OG5_127431
Leishmania mexicana	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	IPR015063,Domain of unknown function DUF1873,domain-containing	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	Get druggable targets OG5_127431	All targets in OG5_127431
Schistosoma japonicum	Ubiquitin carboxyl-terminal hydrolase 8, putative	Get druggable targets OG5_127431	All targets in OG5_127431
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	Get druggable targets OG5_127431	All targets in OG5_127431

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	ubiquitin specific protease, putative	ubiquitin specific peptidase 2	362 aa	378 aa	25.7 %
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.0099	0.011
Loa Loa (eye worm)	acetyltransferase	0.0134	0.0417	0.0417
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.009	0.0927
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0045	0.0123	0.126
Schistosoma mansoni	smad	0.0008	0.0003	0.0003
Trichomonas vaginalis	conserved hypothetical protein	0.0304	0.0976	1
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0123	0.126
Echinococcus granulosus	Smad4	0.0008	0.0003	0.0003
Brugia malayi	beta-lactamase family protein	0.0035	0.009	0.009
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.001	0.0008	0.0685
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0032	0.3051
Trichomonas vaginalis	conserved hypothetical protein	0.0304	0.0976	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0032	0.0032
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0304	0.0976	0.0976
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0304	0.0976	0.0976
Brugia malayi	hypothetical protein	0.001	0.0008	0.0008
Echinococcus granulosus	alkaline phosphatase intestinal gene 2	0.0178	0.0561	0.0623
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.009	0.1278
Toxoplasma gondii	ATPase, AAA family protein	0.001	0.0008	0.0796
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0051	0.0051
Echinococcus multilocularis	expressed protein	0.0304	0.0976	0.1084
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0008	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0051	0.0051
Echinococcus multilocularis	ubiquitin specific protease 41	0.0045	0.0123	0.0137
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.009	0.01
Schistosoma mansoni	serine/threonine protein kinase	0.0311	0.1	0.1
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0304	0.0976	0.0976
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.009	0.911
Mycobacterium tuberculosis	Conserved protein	0.0035	0.009	0.1278
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0029	0.0413
Giardia lamblia	Histone acetyltransferase GCN5	0.0036	0.0095	0.7725
Schistosoma mansoni	Smad4	0.0008	0.0003	0.0003
Echinococcus granulosus	[G-protein-coupledreceptor] kinase	0.2742	0.9	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0039	0.0106	1
Schistosoma mansoni	topbp1	0.001	0.0008	0.0008
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.2742	0.9	0.9
Onchocerca volvulus		0.0048	0.0133	1
Loa Loa (eye worm)	hypothetical protein	0.0304	0.0976	0.0976
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0003	0.0003
Schistosoma mansoni	regulator of G protein signaling	0.0304	0.0976	0.0976
Schistosoma mansoni	chromosome transmission fidelity factor	0.001	0.0008	0.0008
Echinococcus multilocularis	muscleblind protein	0.0138	0.0431	0.0479
Echinococcus granulosus	regulator of G protein signaling 7	0.0304	0.0976	0.1084
Trichomonas vaginalis	conserved hypothetical protein	0.0304	0.0976	1
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0003	0.0003
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0129	0.0143
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.009	0.911
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0045	0.0123	0.0137
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0051	0.5677
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0311	0.1	0.1
Trichomonas vaginalis	conserved hypothetical protein	0.0304	0.0976	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.009	0.009
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0051	0.5171
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.001	0.0008	0.0008
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.009	0.1278
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0037	0.0099	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0008	0.0008
Echinococcus granulosus	alkaline phosphatase	0.0178	0.0561	0.0623
Trichomonas vaginalis	replication factor C large subunit, putative	0.001	0.0008	0.0086
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0129	0.0129
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0008	0.0086
Schistosoma mansoni	regulator of G protein signaling	0.0304	0.0976	0.0976
Brugia malayi	MH2 domain containing protein	0.0008	0.0003	0.0003
Onchocerca volvulus		0.0035	0.009	0.6789
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0099	0.8075
Brugia malayi	beta-lactamase	0.0035	0.009	0.009
Mycobacterium ulcerans	lipase LipD	0.0035	0.009	0.911
Loa Loa (eye worm)	hypothetical protein	0.0304	0.0976	0.0976
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.009	0.009
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0008	0.0086
Brugia malayi	Muscleblind-like protein	0.0138	0.0431	0.0431
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0304	0.0976	0.0976
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.0003	0.0003
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0045	0.0123	0.0137
Loa Loa (eye worm)	Smad1	0.0008	0.0003	0.0003
Echinococcus granulosus	intestinal type alkaline phosphatase 1	0.0178	0.0561	0.0623
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0099	0.8075
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.009	0.7356
Brugia malayi	MH1 domain containing protein	0.0008	0.0003	0.0003
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0222	0.0707	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0129	0.0143
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0045	0.0123	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0051	0.0051
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0039	0.0106	1
Echinococcus multilocularis	tumor protein p63	0.0326	0.105	0.1167
Loa Loa (eye worm)	hypothetical protein	0.0035	0.009	0.009
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0045	0.0123	0.0137
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0008	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0035	0.009	0.009
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0099	0.8075
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0008	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0035	0.009	0.009
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.009	0.0927
Plasmodium falciparum	replication factor C subunit 1, putative	0.001	0.0008	0.0886
Leishmania major	hypothetical protein, conserved	0.0035	0.009	0.7356
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0039	0.0106	1
Loa Loa (eye worm)	inositol-1	0.0037	0.0099	0.0099
Mycobacterium leprae	Probable lipase LipE	0.0035	0.009	1
Brugia malayi	PXA domain containing protein	0.0304	0.0976	0.0976
Echinococcus multilocularis	alkaline phosphatase	0.0178	0.0561	0.0623
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0304	0.0976	0.0976
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0304	0.0976	0.0976
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0129	0.0129
Echinococcus granulosus	intestinal type alkaline phosphatase	0.0178	0.0561	0.0623
Echinococcus granulosus	neuropeptide s receptor	0.056	0.182	0.2022
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0032	0.0456
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0304	0.0976	1
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0008	0.0086
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0045	0.0123	0.126
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0099	0.1017
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.001	0.0008	0.0086
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0051	0.5171
Trichomonas vaginalis	conserved hypothetical protein	0.0304	0.0976	1
Echinococcus granulosus	smad	0.0008	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.001	0.0008	0.0008
Loa Loa (eye worm)	G protein-coupled receptor kinase 1	0.2742	0.9	0.9
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.037	0.037
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0037	0.0099	0.9384
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0029	0.0413
Echinococcus granulosus	regulator of G protein signaling 3	0.0304	0.0976	0.1084
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.001	0.0008	0.0008
Echinococcus granulosus	mothers against decapentaplegic 5	0.0008	0.0003	0.0003
Plasmodium vivax	replication factor C subunit 1, putative	0.001	0.0008	0.0796
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.009	0.009
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0029	0.0413
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.009	0.0927
Schistosoma mansoni	regulator of G protein signaling	0.0304	0.0976	0.0976
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0039	0.0106	0.1084
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0129	0.0129
Echinococcus multilocularis	axis inhibition protein axin	0.0304	0.0976	0.1084
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.009	1
Echinococcus multilocularis	smad	0.0008	0.0003	0.0003
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0133	0.0133
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.001	0.0008	0.0086
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.009	0.01
Schistosoma mansoni	topbp1	0.001	0.0008	0.0008
Echinococcus granulosus	replication factor c subunit 1	0.001	0.0008	0.0009
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0003	0.0003
Echinococcus granulosus	expressed protein	0.0304	0.0976	0.1084
Loa Loa (eye worm)	hypothetical protein	0.001	0.0008	0.0008
Schistosoma mansoni	axis inhibition protein axin	0.0304	0.0976	0.0976
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0134	0.0417	0.0464
Entamoeba histolytica	hypothetical protein	0.0304	0.0976	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.009	0.009
Chlamydia trachomatis	DNA ligase	0.001	0.0008	0.2608
Echinococcus multilocularis	regulator of G protein signaling 3	0.0304	0.0976	0.1084
Loa Loa (eye worm)	PXA domain-containing protein	0.0304	0.0976	0.0976
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.037	0.037
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.009	0.0927
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0431	0.0431
Echinococcus granulosus	axis inhibition protein axin	0.0304	0.0976	0.1084
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.001	0.0008	0.0685
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.009	0.7356
Schistosoma mansoni	regulator of G protein signaling	0.0304	0.0976	0.0976
Loa Loa (eye worm)	hypothetical protein	0.0304	0.0976	0.0976
Brugia malayi	hypothetical protein	0.001	0.0008	0.0008
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0029	0.0413
Brugia malayi	hypothetical protein	0.0304	0.0976	0.0976
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0051	0.0051
Onchocerca volvulus		0.001	0.0008	0.0632
Brugia malayi	regulator of G-protein signaling egl-10	0.0304	0.0976	0.0976
Mycobacterium tuberculosis	Conserved protein	0.0035	0.009	0.1278
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0003	0.0003
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0008	0.0086
Entamoeba histolytica	hypothetical protein	0.001	0.0008	0.0086
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0045	0.0123	1
Echinococcus granulosus	ubiquitin specific protease 41	0.0045	0.0123	0.0137
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0051	0.5171
Echinococcus granulosus	histone acetyltransferase KAT2B	0.013	0.0405	0.045
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0032	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0051	0.0726
Brugia malayi	follicle stimulating hormone receptor	0.0283	0.0906	0.0906
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0133	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0304	0.0976	0.0976
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0304	0.0976	0.1084
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0311	0.1	0.1111
Echinococcus granulosus	axis inhibition protein axin	0.0304	0.0976	0.1084
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0051	0.5171
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.009	0.1278
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0045	0.0123	0.0123
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0045	0.0123	1
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0008	0.0086
Brugia malayi	Pax transcription activation domain interacting protein	0.001	0.0008	0.0008
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.009	0.8549
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0129	0.0129
Echinococcus granulosus	Regulator of G protein signaling 20	0.0304	0.0976	0.1084
Brugia malayi	DKFZp564C0469 protein	0.001	0.0008	0.0008
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0051	0.5171
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0051	0.4176
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0431	0.0431
Trichomonas vaginalis	esterase, putative	0.0035	0.009	0.0927
Plasmodium falciparum	histone acetyltransferase GCN5	0.0036	0.0095	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0039	0.0106	0.1084
Schistosoma mansoni	DNA ligase IV	0.001	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0032	0.0032
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.001	0.0008	0.0796
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0099	0.1017
Loa Loa (eye worm)	hypothetical protein	0.0035	0.009	0.009
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0045	0.0123	1
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.0099	0.1017
Treponema pallidum	DNA ligase (lig)	0.001	0.0008	0.5
Onchocerca volvulus		0.0035	0.009	0.6789
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.009	0.1278
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0032	0.0032
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.3046	1	1
Echinococcus multilocularis	replication factor c subunit 1	0.001	0.0008	0.0009
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0051	0.0526
Schistosoma mansoni	serine/threonine protein kinase	0.3046	1	1
Echinococcus multilocularis	intestinal type alkaline phosphatase	0.0178	0.0561	0.0623
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0304	0.0976	0.1084
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0051	0.0051
Schistosoma mansoni	alkaline phosphatase	0.0178	0.0561	0.0561
Echinococcus multilocularis	regulator of G protein signaling	0.0304	0.0976	0.1084
Toxoplasma gondii	ABC1 family protein	0.0035	0.009	0.8549
Brugia malayi	PXA domain containing protein	0.0304	0.0976	0.0976
Brugia malayi	Smad1	0.0008	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0123	0.0123
Brugia malayi	regulator of G-protein signaling rgs-7	0.0304	0.0976	0.0976
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0099	0.0099
Brugia malayi	Inositol-1	0.0037	0.0099	0.0099
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.009	0.7356
Echinococcus multilocularis	nibrin	0.001	0.0008	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0032	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0304	0.0976	0.0976
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0051	0.0051
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0051	0.0526
Mycobacterium ulcerans	beta-lactamase	0.0035	0.009	0.911
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0129	0.0143
Brugia malayi	hypothetical protein	0.0304	0.0976	0.0976
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0034	0.0086	0.1221
Giardia lamblia	Replication factor C, subunit 1	0.001	0.0008	0.0685
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0129	0.0129
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0045	0.0123	0.126
Trypanosoma cruzi	hypothetical protein, conserved	0.001	0.0008	0.0685
Mycobacterium ulcerans	hypothetical protein	0.0035	0.009	0.911
Echinococcus granulosus	regulator of G protein signaling 7	0.0304	0.0976	0.1084
Brugia malayi	topoisomerase	0.001	0.0008	0.0008
Entamoeba histolytica	hypothetical protein	0.0304	0.0976	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0051	0.5171
Schistosoma mansoni	alkaline phosphatase	0.0178	0.0561	0.0561
Loa Loa (eye worm)	hypothetical protein	0.001	0.0008	0.0008
Loa Loa (eye worm)	beta-lactamase	0.0035	0.009	0.009
Echinococcus granulosus	tumor protein p63	0.0326	0.105	0.1167
Echinococcus granulosus	muscleblind protein	0.0138	0.0431	0.0479
Echinococcus multilocularis	neuropeptide receptor A26	0.056	0.182	0.2022
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.0008	0.0086
Schistosoma mansoni	axis inhibition protein axin	0.0304	0.0976	0.0976
Loa Loa (eye worm)	hypothetical protein	0.001	0.0008	0.0008
Schistosoma mansoni	z-protein (S1r protein)	0.0304	0.0976	0.0976
Brugia malayi	beta-lactamase family protein	0.0035	0.009	0.009
Brugia malayi	MH2 domain containing protein	0.012	0.037	0.037
Echinococcus multilocularis	intestinal type alkaline phosphatase 1	0.0178	0.0561	0.0623
Echinococcus multilocularis	muscleblind protein 1	0.0138	0.0431	0.0479
Echinococcus granulosus	regulator of G protein signaling 3	0.0304	0.0976	0.1084
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0051	0.5171
Echinococcus granulosus	nibrin	0.001	0.0008	0.0009
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.009	0.1278
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0304	0.0976	0.1084
Trypanosoma cruzi	FHA domain containing protein, putative	0.001	0.0008	0.0685
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.0099	0.011
Schistosoma mansoni	peptidase	0.0011	0.0012	0.0012
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0129	0.0143
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0034	0.0086	0.9548
Schistosoma mansoni	serine/threonine protein kinase	0.0311	0.1	0.1
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0099	0.0099
Echinococcus multilocularis	regulator of G protein signaling 7	0.0304	0.0976	0.1084
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0045	0.0123	0.0123
Trypanosoma cruzi	hypothetical protein, conserved	0.001	0.0008	0.0685
Entamoeba histolytica	acetyltransferase, GNAT family	0.0036	0.0095	0.0973
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0008	0.0003	0.0003
Echinococcus multilocularis	Smad4	0.0008	0.0003	0.0003
Echinococcus granulosus	neuropeptide receptor A26	0.056	0.182	0.2022
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0045	0.0123	1
Brugia malayi	acetyltransferase, GNAT family protein	0.0134	0.0417	0.0417
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.009	0.1278
Echinococcus multilocularis	neuropeptide s receptor	0.056	0.182	0.2022
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0051	0.0526
Mycobacterium tuberculosis	Conserved protein	0.0035	0.009	0.1278
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0032	0.3399
Onchocerca volvulus		0.0035	0.009	0.6789
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0051	0.4176
Echinococcus multilocularis	regulator of G protein signaling 3	0.0304	0.0976	0.1084
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0099	0.8075
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.0032	0.3252
Echinococcus multilocularis	axis inhibition protein axin	0.0304	0.0976	0.1084
Entamoeba histolytica	hypothetical protein	0.0304	0.0976	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0051	0.0726
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.001	0.0008	0.0848
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0045	0.0123	0.0137
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.2742	0.9	0.9
Onchocerca volvulus		0.0023	0.0051	0.3854
Loa Loa (eye worm)	hypothetical protein	0.0035	0.009	0.009
Loa Loa (eye worm)	RGS-3 protein	0.0304	0.0976	0.0976
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0045	0.0123	0.0123
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0037	0.0099	1
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0051	0.5171
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0134	0.0417	0.0417
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.0099	0.1017
Trichomonas vaginalis	conserved hypothetical protein	0.0304	0.0976	1
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.001	0.0008	0.0931
Echinococcus multilocularis	G protein coupled receptor kinase 6	0.2742	0.9	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0283	0.0906	0.0906
Schistosoma mansoni	hypothetical protein	0.0092	0.028	0.028
Brugia malayi	MH2 domain containing protein	0.0008	0.0003	0.0003
Echinococcus multilocularis	regulator of G protein signaling 7	0.0304	0.0976	0.1084
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0311	0.1	0.1111
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.009	0.0927
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0051	0.5677
Loa Loa (eye worm)	hypothetical protein	0.0035	0.009	0.009
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0039	0.0106	0.0118
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0051	0.4176
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.001	0.0008	0.0086
Brugia malayi	MH1 domain containing protein	0.0008	0.0003	0.0003
Brugia malayi	A-kinase anchor protein 10, precursor	0.0304	0.0976	0.0976
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.009	0.1278
Schistosoma mansoni	regulator of G protein signaling	0.0304	0.0976	0.0976
Echinococcus multilocularis	alkaline phosphatase, intestinal, gene 2	0.0178	0.0561	0.0623
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0032	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0304	0.0976	0.0976

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	13.1154 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	= 89.1251 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1493816

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1369265