TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 1052.2 | Formula: C47H85N5Na2O12P2S
H donors: 1 H acceptors: 7 LogP: 15 Rotable bonds: 45
Rule of 5 violations (Lipinski): 2
SMILES: CCCCCCCCCCCCCCCCCCSCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OP(=O)(OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O)[O-])[O-].[Na+].[Na+]
InChi: 1S/C47H87N5O12P2S.2Na/c1-4-6-8-10-12-14-16-18-19-20-22-24-26-28-30-32-34-67-39-41(62-45(53)33-31-29-27-25-23-21-17-15-13-11-9-7-5-2)37-60-65(56,57)64-66(58,59)61-38-43-42(50-51-48)35-44(63-43)52-36-40(3)46(54)49-47(52)55;;/h36,41-44H,4-35,37-39H2,1-3H3,(H,56,57)(H,58,59)(H,49,54,55);;/q;2*+1/p-2/t41?,42-,43+,44+;;/m0../s1
InChiKey: ASHAHCAQGWCIED-KRRXHJGVSA-L

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
Onchocerca volvulus		0.0024	0.0445	0.0021
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0023	0.0362	0.0242
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0024	0.0438	0.0453
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0028	0.0609	0.2295
Echinococcus granulosus	jun protein	0.0101	0.3879	0.4532
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0438	0.0651
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0059	0.2005	0.2311
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0445	0.0662
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0045	0.1367	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0566	0.0842
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0445	0.0662
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.0362	0.0363
Loa Loa (eye worm)	beta-lactamase	0.0037	0.1014	0.1509
Echinococcus multilocularis	ubiquitin specific protease 41	0.0045	0.1367	0.1555
Mycobacterium ulcerans	lipase LipD	0.0037	0.1014	0.4402
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0061	0.2092	0.2413
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.1014	0.7308
Brugia malayi	jmjC domain containing protein	0.0059	0.2005	0.2982
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0024	0.0438	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0056	0.0083
Trypanosoma brucei	hypothetical protein, conserved	0.0028	0.0609	0.4217
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0445	0.1443
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1014	0.1509
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0024	0.0438	0.0651
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.2092	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0061	0.2092	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0024	0.0438	0.0651
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0024	0.0438	0.0651
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0024	0.0438	0.0651
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.1014	0.0903
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.1014	0.1136
Echinococcus granulosus	FTZ F1 alpha	0.0024	0.0438	0.0453
Schistosoma mansoni	nuclear hormone receptor	0.0024	0.0438	0.0453
Brugia malayi	Nuclear hormone receptor-like 1	0.0024	0.0438	0.0651
Echinococcus multilocularis	lamin	0.0027	0.0566	0.0605
Echinococcus multilocularis	FTZ F1 alpha	0.0024	0.0438	0.0453
Trypanosoma brucei	cytochrome P450, putative	0.0041	0.1194	0.8677
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0045	0.1367	0.6443
Echinococcus granulosus	geminin	0.0203	0.8492	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0438	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0167	0.0249
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0024	0.0438	0.0453
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0024	0.0438	0.0453
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.1014	0.7308
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0151	0.6152	0.915
Brugia malayi	jmjC domain containing protein	0.0016	0.0056	0.0083
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0024	0.0438	0.0453
Onchocerca volvulus		0.0027	0.0566	0.0377
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0445	0.0662
Loa Loa (eye worm)	hypothetical protein	0.01	0.3834	0.5702
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0101	0.3879	0.4532
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0445	0.0662
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0151	0.6141	0.7213
Onchocerca volvulus		0.01	0.3834	1
Brugia malayi	Cytochrome P450 family protein	0.0041	0.1194	0.1776
Echinococcus multilocularis	lysine specific demethylase 5A	0.0059	0.2005	0.2311
Schistosoma mansoni	lamin	0.0027	0.0566	0.0605
Mycobacterium leprae	Probable lipase LipE	0.0037	0.1014	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0566	0.0842
Brugia malayi	jmjC domain containing protein	0.0016	0.0056	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0544	0.0809
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0023	0.0362	0.2334
Echinococcus multilocularis	transfer RNA-Lys	0.0036	0.0974	0.1089
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0438	0.0651
Brugia malayi	hypothetical protein	0.0164	0.6724	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0024	0.0438	0.0651
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0028	0.0609	1
Trypanosoma cruzi	cytochrome P450, putative	0.0041	0.1194	0.8677
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0566	0.0842
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0445	0.1443
Brugia malayi	Steroid receptor seven-up type 2	0.0024	0.0438	0.0651
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0445	0.1443
Leishmania major	hypothetical protein, conserved	0.0037	0.1014	0.4709
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0059	0.2005	0.2311
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0024	0.0438	0.0453
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.1014	0.1509
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.01	0.3834	0.5702
Toxoplasma gondii	exonuclease III APE	0.0023	0.0362	0.1503
Toxoplasma gondii	ABC1 family protein	0.0037	0.1014	0.4709
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.1014	0.6489
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0024	0.0438	0.0453
Schistosoma mansoni	hypothetical protein	0.0203	0.8492	1
Onchocerca volvulus		0.0037	0.1014	0.1698
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0024	0.0438	0.0453
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.1014	0.6489
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0445	0.1911
Mycobacterium ulcerans	beta-lactamase	0.0037	0.1014	0.4402
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0028	0.0609	0.577
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0028	0.0609	1
Onchocerca volvulus		0.0037	0.1014	0.1698
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0024	0.0438	0.0453
Leishmania major	cytochrome p450-like protein	0.0041	0.1194	0.5591
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0023	0.0362	0.1011
Trypanosoma cruzi	cytochrome P450, putative	0.0041	0.1194	0.8677
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0438	0.0651
Echinococcus granulosus	lamin	0.0027	0.0566	0.0605
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0061	0.2092	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0445	0.0826
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0028	0.0609	0.2295
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1014	0.1509
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.2092	0.2413
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.2005	0.2982
Echinococcus granulosus	intermediate filament protein	0.0027	0.0566	0.0605
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0045	0.1367	0.1555
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0024	0.0438	0.0651
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0151	0.6141	0.7213
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0024	0.0438	0.0651
Brugia malayi	hypoxia-induced factor 1	0.0151	0.6152	0.915
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0024	0.0438	0.0453
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0445	0.0826
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0438	0.0651
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0061	0.2092	0.2413
Onchocerca volvulus		0.0027	0.0566	0.0377
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0566	0.0842
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.1014	0.6489
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.2092	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0024	0.0438	0.0651
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0024	0.0438	0.0453
Echinococcus multilocularis	ecdysone induced protein 78C	0.0024	0.0438	0.0453
Brugia malayi	PAS domain containing protein	0.0049	0.1546	0.2299
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0045	0.1367	0.1555
Brugia malayi	jmjC domain containing protein	0.0016	0.0056	0.0083
Loa Loa (eye worm)	steroid hormone receptor	0.0024	0.0438	0.0651
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0045	0.1367	0.1555
Schistosoma mansoni	hypothetical protein	0.0203	0.8492	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0024	0.0438	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0164	0.6724	1
Mycobacterium ulcerans	hypothetical protein	0.0037	0.1014	0.4402
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1014	0.1509
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0056	0.0083
Brugia malayi	nuclear hormone receptor	0.0024	0.0438	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0167	0.0249
Schistosoma mansoni	hypothetical protein	0.0082	0.303	0.3526
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1014	0.1509
Schistosoma mansoni	jumonji domain containing protein	0.0059	0.2005	0.2311
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0445	0.1443
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0362	0.5534
Echinococcus granulosus	lamin dm0	0.0027	0.0566	0.0605
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.1014	0.7308
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0041	0.1194	0.5335
Loa Loa (eye worm)	jmjC domain-containing protein	0.0016	0.0056	0.0083
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0023	0.0362	0.1503
Echinococcus multilocularis	L aminoadipate semialdehyde	0.01	0.3834	0.4479
Loa Loa (eye worm)	jmjC domain-containing protein	0.0016	0.0056	0.0083
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0045	0.1367	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.1014	0.4402
Echinococcus granulosus	ecdysone induced protein 78C	0.0024	0.0438	0.0453
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.1014	0.0903
Echinococcus multilocularis	musashi	0.0027	0.0566	0.0605
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.01	0.3834	0.4479
Mycobacterium ulcerans	putative regulatory protein	0.0036	0.0974	0.4194
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0024	0.0438	0.0651
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.1014	0.0903
Echinococcus granulosus	L aminoadipate semialdehyde	0.01	0.3834	0.4479
Brugia malayi	nuclear receptor NHR-88	0.0024	0.0438	0.0651
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0045	0.1367	0.1555
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.0362	0.0363
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.1014	1
Schistosoma mansoni	aryl hydrocarbon receptor	0.0049	0.1546	0.1766
Brugia malayi	beta-lactamase	0.0037	0.1014	0.1509
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0059	0.2005	0.2311
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0024	0.0438	0.0651
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0028	0.0609	0.0492
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0061	0.2092	0.1993
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1014	0.1509
Echinococcus granulosus	ubiquitin specific protease 41	0.0045	0.1367	0.1555
Brugia malayi	jmjC domain containing protein	0.0016	0.0056	0.0083
Schistosoma mansoni	single-minded	0.0049	0.1546	0.1766
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.1014	0.0903
Schistosoma mansoni	ap endonuclease	0.0023	0.0362	0.0363
Loa Loa (eye worm)	CYP4Cod1	0.0041	0.1194	0.1776
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0445	0.1443
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0445	0.0326
Mycobacterium tuberculosis	Conserved protein	0.0037	0.1014	0.0903
Entamoeba histolytica	hypothetical protein	0.0028	0.0609	0.2457
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0059	0.2005	0.2311
Schistosoma mansoni	retinoic acid receptor RXR	0.0024	0.0438	0.0453
Loa Loa (eye worm)	cytochrome P450 family protein	0.0041	0.1194	0.1776
Brugia malayi	steroid hormone receptor	0.0024	0.0438	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1014	0.1509
Mycobacterium tuberculosis	Conserved protein	0.0037	0.1014	0.0903
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.1014	1
Mycobacterium tuberculosis	Conserved protein	0.0037	0.1014	0.0903
Loa Loa (eye worm)	hypothetical protein	0.0045	0.1367	0.2034
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0024	0.0438	0.0453
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0024	0.0438	0.0651
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0028	0.0609	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0167	0.0249
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.1014	0.0903
Onchocerca volvulus		0.0079	0.2906	0.7267
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.1014	0.4402
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0167	0.1163
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.1014	0.6489
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0362	0.0538
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.1014	0.6489
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0028	0.0609	0.2717
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0024	0.0438	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0167	0.0249
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0024	0.0438	0.0651
Loa Loa (eye worm)	cytochrome P450 family protein	0.0041	0.1194	0.1776
Schistosoma mansoni	hypothetical protein	0.0151	0.6141	0.7213
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0566	0.0605
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0045	0.1367	1
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0045	0.1367	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0362	0.2334
Leishmania major	phosphopantetheinyl transferase-like protein	0.0028	0.0609	0.2717
Echinococcus granulosus	single minded 2	0.0036	0.0974	0.1089
Schistosoma mansoni	thyroid hormone receptor	0.0175	0.7232	0.8506
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0056	0.0083
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0024	0.0438	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0663	0.0985
Loa Loa (eye worm)	jmjC domain-containing protein	0.0016	0.0056	0.0083
Echinococcus multilocularis	lamin dm0	0.0027	0.0566	0.0605
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0438	0.0651
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0024	0.0438	0.0651
Schistosoma mansoni	thyroid hormone receptor	0.0175	0.7232	0.8506
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0024	0.0438	0.0453
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0024	0.0438	0.0453
Brugia malayi	ecdysteroid receptor	0.0024	0.0438	0.0651
Onchocerca volvulus		0.0037	0.1014	0.1698
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0445	0.1443
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.1014	0.1509
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0024	0.0438	0.0453
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.1014	0.1136
Brugia malayi	beta-lactamase family protein	0.0037	0.1014	0.1509
Brugia malayi	bZIP transcription factor family protein	0.0101	0.3879	0.5769
Brugia malayi	bHLH-PAS transcription factor	0.0036	0.0974	0.1449
Mycobacterium leprae	conserved hypothetical protein	0.0028	0.0609	0.288
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0167	0.0249
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0445	0.0662
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0445	0.1443
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.2092	1
Brugia malayi	intermediate filament protein	0.0027	0.0566	0.0842
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0362	0.3193
Brugia malayi	beta-lactamase family protein	0.0037	0.1014	0.1509
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0024	0.0438	0.0453
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0167	0.2016
Schistosoma mansoni	ap endonuclease	0.0023	0.0362	0.0363
Schistosoma mansoni	lamin	0.0027	0.0566	0.0605
Onchocerca volvulus		0.0036	0.0974	0.158
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0028	0.0609	0.2717
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0445	0.1443
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0445	0.0662
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0024	0.0438	0.0651
Brugia malayi	Cytochrome P450 family protein	0.0041	0.1194	0.1776
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0045	0.1367	0.2034
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0024	0.0438	0.0453
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0024	0.0438	0.0651
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.2092	0.2413
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.1014	0.0903
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0024	0.0438	0.0651
Schistosoma mansoni	jun-related protein	0.0082	0.303	0.3526
Schistosoma mansoni	coup transcription factor	0.0024	0.0438	0.0453
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.1014	0.0903
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0024	0.0438	0.0651
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0045	0.1367	0.1555
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0438	0.0651
Echinococcus granulosus	lysine specific demethylase 5A	0.0059	0.2005	0.2311
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0445	0.0826
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0024	0.0438	0.0651
Loa Loa (eye worm)	hypothetical protein	0.0098	0.3755	0.5584
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0024	0.0438	0.0651
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.1014	0.1136
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0045	0.1367	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0175	0.7232	0.8506
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0101	0.3879	0.4532
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0167	0.0045
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.1367	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0438	0.0651
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.1014	0.1136
Brugia malayi	hypothetical protein	0.0079	0.2906	0.4322
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0362	0.2334
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0024	0.0438	0.0453
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.0362	0.0538
Trichomonas vaginalis	esterase, putative	0.0037	0.1014	0.6489
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0028	0.0609	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0445	0.0326
Brugia malayi	photoreceptor-specific nuclear receptor	0.0024	0.0438	0.0651
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0045	0.1367	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0445	0.1911
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0445	0.1911
Brugia malayi	jmjC domain containing protein	0.0059	0.2005	0.2982
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0045	0.1367	0.1555
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0045	0.1367	1
Echinococcus multilocularis	jun protein	0.0101	0.3879	0.4532
Echinococcus multilocularis	geminin	0.0203	0.8492	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0024	0.0438	0.0453

Activities

Activity type	Activity value	Assay description	Source	Reference
CLT (ADMET)	= 1.38	Time taken for the administration to female NIH mice weighing 25-30 g.	ChEMBL.	8627600
EC50 (functional)	< 0.58 uM	Effective concentration against HIV-1-infected CEM cells in mice administrated intraperitoneally	ChEMBL.	8627600
fm (ADMET)	= 0.36	The fraction of conjugate converted to the parent nucleoside (fm) was calculated from (AUC)( CLt ) / dose in female NIH mice weighing 25-30 g after ip adminstartion	ChEMBL.	8627600
IC50 (functional)	= 120 uM	Ability to reduce viable cell number on HIV-1-infected CEM cells in mice after intraperitoneal administration	ChEMBL.	8627600

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	8627600

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

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External resources for this compound

ChEMBL: CHEMBL3351066

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1047501