TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 753.837 | Formula: C42H47N3O10
H donors: 4 H acceptors: 7 LogP: 5.36 Rotable bonds: 25
Rule of 5 violations (Lipinski): 2
SMILES: CC(C[C@@H](C(=O)N)CC(=O)[C@@H](NC(=O)[C@@H](NC(=O)COc1ccc2c(c1)cccc2)CCC(=O)OCc1ccccc1)Cc1ccc(cc1)OCC(=O)O)C
InChi: 1S/C42H47N3O10/c1-27(2)20-32(41(43)51)23-37(46)36(21-28-12-15-33(16-13-28)54-26-39(48)49)45-42(52)35(18-19-40(50)55-24-29-8-4-3-5-9-29)44-38(47)25-53-34-17-14-30-10-6-7-11-31(30)22-34/h3-17,22,27,32,35-36H,18-21,23-26H2,1-2H3,(H2,43,51)(H,44,47)(H,45,52)(H,48,49)/t32-,35+,36+/m1/s1
InChiKey: LPNUGSFYTATYOO-GRGGVALCSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0042	0.0126
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0044	0.0245	0.0361
Brugia malayi	CHE-14 protein	0.004	0.0213	0.0634
Echinococcus multilocularis	sterol regulatory element binding protein	0.004	0.0213	0.0213
Loa Loa (eye worm)	Ulp1 protease	0.0036	0.0176	0.0524
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0245	0.0361
Echinococcus granulosus	expressed conserved protein	0.0088	0.0587	0.0587
Schistosoma mansoni	patched 1	0.004	0.0213	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0267	0.0794
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0882	0.6798	1
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0213	0.38
Loa Loa (eye worm)	hypothetical protein	0.005	0.0286	0.085
Trichomonas vaginalis	Sentrin-specific protease, putative	0.0085	0.0561	1
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0018	0.0042	0.0753
Onchocerca volvulus		0.0047	0.0267	0.2116
Entamoeba histolytica	hypothetical protein	0.0174	0.126	1
Onchocerca volvulus		0.0174	0.126	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.003	0.0129	0.0129
Onchocerca volvulus		0.005	0.0293	0.2324
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0036	0.0176	0.1398
Echinococcus multilocularis	geminin	0.0317	0.2379	0.2379
Schistosoma mansoni	topbp1	0.0018	0.0042	0.0042
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0047	0.0264	0.2096
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0047	0.0264	0.2096
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0047	0.0264	0.4713
Echinococcus granulosus	nibrin	0.0018	0.0042	0.0042
Entamoeba histolytica	hypothetical protein	0.0067	0.0425	0.337
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0024	0.0089	0.0089
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0093	0.0628	0.1869
Entamoeba histolytica	hypothetical protein	0.0067	0.0425	0.337
Trypanosoma cruzi	hypothetical protein, conserved	0.0018	0.0042	0.0753
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0397	0.1182
Trichomonas vaginalis	CMGC family protein kinase	0.0047	0.0264	0.4713
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.005	0.0293	0.0872
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.003	0.0129	0.0129
Brugia malayi	AMP-binding enzyme family protein	0.0044	0.0245	0.073
Entamoeba histolytica	acyl-coA synthetase, putative	0.0044	0.0245	0.1945
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0036	0.0176	0.0524
Echinococcus multilocularis	sentrin specific protease 8	0.0085	0.0561	0.0561
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0239	0.0239
Mycobacterium leprae	HOLO-[ACYL-CARRIER PROTEIN] SYNTHASE ACPS (HOLO-ACP SYNTHASE) (CoA:APO-[ACP]PANTETHEINEPHOSPHOTRANSFERASE) (CoA:APO-[ACYL-CARRIE	0.0708	0.5436	1
Schistosoma mansoni	hypothetical protein	0.0317	0.2379	0.2379
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0033	0.0157	0.0171
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0239	0.0712
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0423	0.3208	0.3208
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0044	0.0245	0.0361
Toxoplasma gondii	Ulp1 protease family, C-terminal catalytic domain-containing protein	0.0036	0.0176	0.1398
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0882	0.6798	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0033	0.0157	0.0232
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0085	0.0561	0.4447
Toxoplasma gondii	Ulp1 protease family, C-terminal catalytic domain-containing protein	0.0036	0.0176	0.1398
Echinococcus granulosus	Niemann Pick C1 protein	0.0134	0.0947	0.0947
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.0018	0.0042	0.0078
Brugia malayi	hypothetical protein	0.0443	0.336	1
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.0018	0.0042	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0176	0.0524
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0239	0.0712
Echinococcus multilocularis	Ankyrin	0.003	0.0135	0.0135
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0018	0.0042	0.0753
Plasmodium falciparum	sentrin-specific protease 1	0.0036	0.0176	0.0259
Loa Loa (eye worm)	hypothetical protein	0.005	0.0293	0.0872
Brugia malayi	topoisomerase	0.0018	0.0042	0.0126
Schistosoma mansoni	serine/threonine protein kinase	0.0047	0.0264	0.0264
Trypanosoma cruzi	hypothetical protein, conserved	0.0018	0.0042	0.0753
Echinococcus granulosus	neuropeptide receptor A26	0.0425	0.3221	0.3221
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0042	0.0126
Echinococcus granulosus	Ankyrin	0.003	0.0135	0.0135
Brugia malayi	Death domain containing protein	0.003	0.0134	0.0398
Schistosoma mansoni	microtubule-associated protein tau	0.1292	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.0047	0.0264	0.4713
Toxoplasma gondii	Ulp1 protease family, C-terminal catalytic domain-containing protein	0.0036	0.0176	0.1398
Schistosoma mansoni	ankyrin 23/unc44	0.003	0.0134	0.0134
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0018	0.0042	0.0753
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0423	0.3208	0.3208
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0036	0.0176	0.0176
Onchocerca volvulus		0.005	0.0293	0.2324
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0047	0.0264	0.4713
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0295	0.2204	0.2204
Echinococcus granulosus	mitogen activated protein kinase	0.0047	0.0264	0.0264
Schistosoma mansoni	chromosome transmission fidelity factor	0.0018	0.0042	0.0042
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0036	0.0176	0.1398
Echinococcus multilocularis	netrin receptor unc 5	0.003	0.0134	0.0134
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0042	0.0753
Loa Loa (eye worm)	hypothetical protein	0.004	0.0213	0.0634
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0284	0.0845
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.003	0.0129	0.0129
Schistosoma mansoni	survival motor neuron protein	0.009	0.0604	0.0604
Schistosoma mansoni	topbp1	0.0018	0.0042	0.0042
Trypanosoma cruzi	hypothetical protein	0.0085	0.0561	1
Schistosoma mansoni	cellular tumor antigen P53	0.0047	0.0267	0.0267
Schistosoma mansoni	hypothetical protein	0.0039	0.0202	0.0202
Echinococcus granulosus	geminin	0.0317	0.2379	0.2379
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0036	0.0176	0.0176
Schistosoma mansoni	hypothetical protein	0.003	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0042	0.0126
Schistosoma mansoni	hypothetical protein	0.003	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0157	0.0469
Echinococcus granulosus	Protein patched homolog 1	0.004	0.0213	0.0213
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0174	0.126	0.3752
Echinococcus granulosus	mitogen activated protein kinase 3	0.0047	0.0264	0.0264
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0044	0.0245	0.0451
Brugia malayi	hypothetical protein	0.0067	0.0425	0.1264
Brugia malayi	Latrophilin receptor protein 2	0.003	0.0129	0.0384
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0176	0.0524
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0882	0.6798	1
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0085	0.0561	1
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0628	0.1869
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0036	0.0176	0.3143
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0024	0.0089	0.0089
Echinococcus granulosus	tumor protein p63	0.0322	0.2417	0.2417
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0239	0.0239
Echinococcus multilocularis	sentrin specific protease 7	0.0159	0.1145	0.1145
Echinococcus multilocularis	mitogen activated protein kinase	0.0047	0.0264	0.0264
Schistosoma mansoni	netrin receptor unc5	0.003	0.0134	0.0134
Giardia lamblia	Sentrin specific protease, putative	0.0036	0.0176	0.6034
Echinococcus multilocularis	expressed conserved protein	0.0124	0.0867	0.0867
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0036	0.0176	0.3143
Echinococcus multilocularis	survival motor neuron protein 1	0.0443	0.336	0.336
Schistosoma mansoni	lamin	0.005	0.0293	0.0293
Schistosoma mansoni	hypothetical protein	0.0039	0.0202	0.0202
Leishmania major	4-coumarate:coa ligase-like protein	0.0044	0.0245	0.1945
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0245	0.073
Echinococcus granulosus	GPCR family 2	0.003	0.0129	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0081	0.0242
Schistosoma mansoni	hypothetical protein	0.0064	0.0397	0.0397
Trichomonas vaginalis	sentrin/sumo-specific protease, senp8, putative	0.0036	0.0176	0.3143
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0245	0.073
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0882	0.6798	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0423	0.3208	0.955
Brugia malayi	cytoplasmic intermediate filament protein	0.0027	0.011	0.0326
Echinococcus multilocularis	Niemann Pick C1 protein	0.0094	0.0632	0.0632
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0239	0.0239
Echinococcus granulosus	sentrin specific protease 7	0.0159	0.1145	0.1145
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0042	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0245	0.073
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0036	0.0176	0.1398
Echinococcus granulosus	intermediate filament protein	0.005	0.0293	0.0293
Plasmodium vivax	replication factor C subunit 1, putative	0.0018	0.0042	0.0062
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0157	0.0469
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0174	0.126	0.126
Onchocerca volvulus	Netrin receptor homolog	0.003	0.0134	0.1062
Leishmania major	4-coumarate:coa ligase-like protein	0.0044	0.0245	0.1945
Mycobacterium leprae	conserved hypothetical protein	0.0174	0.126	0.2319
Schistosoma mansoni	hypothetical protein	0.003	0.0129	0.0129
Trypanosoma cruzi	SUMO1/Ulp2, putative	0.0036	0.0176	0.3143
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0044	0.0245	0.0361
Echinococcus multilocularis	musashi	0.005	0.0293	0.0293
Schistosoma mansoni	hypothetical protein	0.0067	0.0425	0.0425
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0044	0.0245	0.0361
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0085	0.0561	1
Echinococcus granulosus	sterol regulatory element binding protein	0.004	0.0213	0.0213
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0093	0.0628	0.1869
Echinococcus multilocularis	protein patched	0.004	0.0213	0.0213
Mycobacterium ulcerans	hypothetical protein	0.0044	0.0245	0.0361
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0018	0.0042	0.0335
Loa Loa (eye worm)	latrophilin receptor protein 2	0.003	0.0129	0.0384
Brugia malayi	hypothetical protein	0.0018	0.0042	0.0126
Echinococcus multilocularis	Niemann Pick C1 protein	0.0134	0.0947	0.0947
Schistosoma mansoni	hypothetical protein	0.0317	0.2379	0.2379
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0047	0.0264	0.2096
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.003	0.0134	0.0398
Loa Loa (eye worm)	hypothetical protein	0.003	0.0135	0.0401
Echinococcus granulosus	lamin dm0	0.005	0.0293	0.0293
Onchocerca volvulus		0.009	0.0604	0.4793
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0174	0.126	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0067	0.0425	0.0425
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.003	0.0134	0.0134
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0882	0.6798	1
Onchocerca volvulus		0.0036	0.0176	0.1398
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0042	0.0753
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0067	0.0425	0.0425
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0031	0.0143	0.0211
Onchocerca volvulus		0.0018	0.0042	0.0335
Entamoeba histolytica	hypothetical protein	0.0018	0.0042	0.0335
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0044	0.0245	0.0361
Echinococcus granulosus	neuropeptide s receptor	0.0425	0.3221	0.3221
Trypanosoma brucei	hypothetical protein, conserved	0.0174	0.126	1
Plasmodium falciparum	replication factor C subunit 1, putative	0.0018	0.0042	0.0062
Echinococcus multilocularis	GPCR, family 2	0.003	0.0129	0.0129
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0239	0.0239
Echinococcus multilocularis	expressed conserved protein	0.0088	0.0587	0.0587
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0094	0.0632	0.5014
Echinococcus multilocularis	lamin dm0	0.005	0.0293	0.0293
Trichomonas vaginalis	replication factor C large subunit, putative	0.0018	0.0042	0.0753
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0176	0.3143
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0174	0.126	0.1854
Echinococcus multilocularis	sentrin specific protease 1	0.0036	0.0176	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0443	0.336	1
Brugia malayi	AMP-binding enzyme family protein	0.0044	0.0245	0.073
Echinococcus multilocularis	neuropeptide s receptor	0.0425	0.3221	0.3221
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0882	0.6798	1
Plasmodium vivax	sentrin-specific protease 1, putative	0.0036	0.0176	0.0259
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0047	0.0264	0.4713
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0044	0.0245	0.0361
Brugia malayi	Niemann-Pick C1 protein precursor	0.0094	0.0632	0.1881
Loa Loa (eye worm)	hypothetical protein	0.003	0.0129	0.0384
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0245	0.0361
Schistosoma mansoni	hypothetical protein	0.003	0.0134	0.0134
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.003	0.0135	0.0135
Echinococcus granulosus	death domain containing protein	0.003	0.0134	0.0134
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0295	0.2204	0.2204
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C48, putative	0.0036	0.0176	0.3143
Chlamydia trachomatis	deubiquitinase/deneddylase Dub1	0.0036	0.0176	0.0198
Brugia malayi	Intermediate filament tail domain containing protein	0.005	0.0293	0.0872
Schistosoma mansoni	hypothetical protein	0.003	0.0129	0.0129
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0036	0.0176	0.0524
Echinococcus multilocularis	tumor protein p63	0.0322	0.2417	0.2417
Brugia malayi	Uncoordinated protein 44	0.003	0.0134	0.0398
Entamoeba histolytica	hypothetical protein	0.0067	0.0425	0.337
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0095	0.0643	0.0643
Echinococcus granulosus	sentrin specific protease 1	0.0036	0.0176	0.0176
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0239	0.0239
Echinococcus multilocularis	nibrin	0.0018	0.0042	0.0042
Brugia malayi	MAP kinase sur-1	0.0047	0.0264	0.0786
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0033	0.0157	0.0232
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0159	0.1145	0.1145
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0047	0.0264	0.4713
Brugia malayi	Protein kinase domain containing protein	0.0031	0.0137	0.0408
Loa Loa (eye worm)	hypothetical protein	0.0174	0.126	0.3752
Trichomonas vaginalis	CMGC family protein kinase	0.0047	0.0264	0.4713
Brugia malayi	Pax transcription activation domain interacting protein	0.0018	0.0042	0.0126
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0018	0.0042	0.0753
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0157	0.0469
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0174	0.126	1
Schistosoma mansoni	hypothetical protein	0.0039	0.0202	0.0202
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0044	0.0245	0.0451
Echinococcus multilocularis	replication factor c subunit 1	0.0018	0.0042	0.0042
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0027	0.011	0.0326
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0036	0.0176	0.0524
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0044	0.0245	0.1945
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0047	0.0264	0.0264
Toxoplasma gondii	ATPase, AAA family protein	0.0018	0.0042	0.0335
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0031	0.0143	0.0211
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0036	0.0176	0.3143
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0093	0.0628	0.1869
Brugia malayi	Immunoglobulin I-set domain containing protein	0.003	0.0134	0.0398
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0047	0.0264	0.0786
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0044	0.0245	0.1945
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0031	0.0143	0.0211
Brugia malayi	intermediate filament protein	0.005	0.0293	0.0872
Trypanosoma cruzi	FHA domain containing protein, putative	0.0018	0.0042	0.0753
Entamoeba histolytica	hypothetical protein	0.0067	0.0425	0.337
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0085	0.0561	0.0561
Brugia malayi	hypothetical protein	0.0018	0.0042	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0042	0.0126
Echinococcus multilocularis	protein dispatched 1	0.0046	0.0258	0.0258
Leishmania major	SUMO1/Ulp2, putative,cysteine peptidase, Clan CA, family C48, putative	0.0036	0.0176	0.1398
Echinococcus granulosus	survival motor neuron protein 1	0.0443	0.336	0.336
Trichomonas vaginalis	CMGC family protein kinase	0.0047	0.0264	0.4713
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0042	0.0753
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0423	0.3208	0.955
Schistosoma mansoni	lamin	0.005	0.0293	0.0293
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0018	0.0042	0.0753
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0042	0.0126
Leishmania major	phosphopantetheinyl transferase-like protein	0.0174	0.126	1
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0085	0.0561	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0031	0.0143	0.0211
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0423	0.3208	0.3208
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0036	0.0176	0.3143
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0018	0.0042	0.0335
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0157	0.0469
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0239	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0089	0.0264
Echinococcus granulosus	netrin receptor unc 5	0.003	0.0134	0.0134
Schistosoma mansoni	hypothetical protein	0.009	0.0604	0.0604
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0159	0.1145	0.9082
Trypanosoma brucei	SUMO1/Ulp2, putative	0.0036	0.0176	0.1398
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0239	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0176	0.0524
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.0018	0.0042	0.0062
Loa Loa (eye worm)	Ulp1 protease	0.0085	0.0561	0.1669
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.003	0.0129	0.0129
Echinococcus multilocularis	neuropeptide receptor A26	0.0425	0.3221	0.3221
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0036	0.0176	0.3143
Brugia malayi	latrophilin 2 splice variant baaae	0.0064	0.0397	0.1182
Echinococcus granulosus	Niemann Pick C1 protein	0.0094	0.0632	0.0632
Echinococcus multilocularis	microtubule associated protein 2	0.1292	1	1
Plasmodium falciparum	acyl-CoA synthetase	0.0033	0.0157	0.0232
Giardia lamblia	Kinase, CMGC MAPK	0.0047	0.0264	1
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0085	0.0561	0.1669
Echinococcus granulosus	replication factor c subunit 1	0.0018	0.0042	0.0042
Echinococcus granulosus	expressed conserved protein	0.0124	0.0867	0.0867
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.004	0.0213	0.0634
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0632	0.1881
Leishmania major	4-coumarate:coa ligase-like protein	0.0044	0.0245	0.1945
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0036	0.0176	0.3143
Echinococcus multilocularis	lamin	0.005	0.0293	0.0293
Trypanosoma brucei	protein kinase, putative	0.0047	0.0264	0.2096
Schistosoma mansoni	intermediate filament proteins	0.005	0.0293	0.0293
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0036	0.0176	0.1398
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0042	0.0753
Schistosoma mansoni	transcription factor LCR-F1	0.0067	0.0425	0.0425
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0047	0.0264	0.2096
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.003	0.0129	0.0384
Plasmodium vivax	sentrin-specific protease 2, putative	0.0036	0.0176	0.0259
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.0018	0.0042	0.0335
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0882	0.6798	1
Echinococcus granulosus	lamin	0.005	0.0293	0.0293
Mycobacterium ulcerans	acyl-CoA synthetase	0.0044	0.0245	0.0361
Brugia malayi	AMP-binding enzyme family protein	0.0044	0.0245	0.073
Chlamydia trachomatis	deubiquitinase/deneddylase Dub2	0.0036	0.0176	0.0198
Trichomonas vaginalis	conserved hypothetical protein	0.0018	0.0042	0.0753
Onchocerca volvulus		0.0044	0.0245	0.1945
Schistosoma mansoni	hypothetical protein	0.0039	0.0202	0.0202
Brugia malayi	DKFZp564C0469 protein	0.0018	0.0042	0.0126
Schistosoma mansoni	DNA ligase IV	0.0018	0.0042	0.0042
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.003	0.0134	0.0134
Plasmodium vivax	acyl-CoA synthetase, putative	0.0033	0.0157	0.0232
Echinococcus granulosus	sentrin specific protease 8	0.0085	0.0561	0.0561
Loa Loa (eye worm)	intermediate filament protein	0.005	0.0293	0.0872
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.009	0.0604	0.1798
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0157	0.0469
Echinococcus granulosus	L aminoadipate semialdehyde	0.0174	0.126	0.126
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0174	0.126	0.126
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0773	0.5943	0.5943
Loa Loa (eye worm)	hypothetical protein	0.003	0.0134	0.0398
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0081	0.0242

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 23 uM	Inhibitory concentration against human PTP1B expressed in Escherichia coli BL21 cells	ChEMBL.	16039123
IC50 (binding)	= 23 uM	Inhibitory concentration against human PTP1B expressed in Escherichia coli BL21 cells	ChEMBL.	16039123
IC50 (binding)	= 30 uM	Inhibitory concentration against Yersinia pestis YopH expressed in Escherichia coli BL21 cells	ChEMBL.	16039123
IC50 (binding)	= 30 uM	Inhibitory concentration against Yersinia pestis YopH expressed in Escherichia coli BL21 cells	ChEMBL.	16039123

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: CHEMBL366339

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 331012