TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 996.234 | Formula: C57H77N3O12
H donors: 3 H acceptors: 6 LogP: 9.49 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: CO[C@@H]1C=CO[C@@]2(C)Oc3c([C@@H]2O)c2c(OC)c(N4CCN(CC4)Cc4c(C)cc(cc4C)C)c4c(c2c(c3C)OC(=O)C(C)(C)C)oc(n4)C(=CC=CC([C@H]([C@H]([C@H](C([C@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)C
InChi: 1S/C57H77N3O12/c1-29-26-32(4)39(33(5)27-29)28-59-21-23-60(24-22-59)45-44-51-42-41(52(45)67-16)43-50(37(9)49(42)71-55(65)56(11,12)13)72-57(14,53(43)64)68-25-20-40(66-15)34(6)48(69-38(10)61)36(8)47(63)35(7)46(62)30(2)18-17-19-31(3)54(58-44)70-51/h17-20,25-27,30,34-36,40,46-48,53,62-64H,21-24,28H2,1-16H3/b18-17+,25-20+,31-19-/t30?,34-,35-,36?,40+,46+,47-,48-,53-,57+/m1/s1
InChiKey: CGBMSJVNJLFYAU-IQIMHREOSA-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
Trypanosoma cruzi	cysteine peptidase, putative	0.0203	0.6765	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0528	0.069
Loa Loa (eye worm)	cysteine protease	0.0053	0.121	0.1581
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0054	0.125	0.192
Brugia malayi	beta-lactamase family protein	0.0035	0.0528	0.0493
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0528	0.069
Loa Loa (eye worm)	hypothetical protein	0.0071	0.186	0.2429
Brugia malayi	Cathepsin L-like precursor	0.0053	0.121	0.1403
Schistosoma mansoni	cathepsin F (C01 family)	0.0053	0.121	0.121
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.7504	1
Entamoeba histolytica	hypothetical protein	0.0036	0.057	0.3314
Plasmodium vivax	SET domain protein, putative	0.0033	0.0442	0.1981
Onchocerca volvulus		0.0035	0.0528	0.0103
Leishmania major	cathepsin L-like protease	0.0053	0.121	0.1094
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0528	0.5
Brugia malayi	cathepsin L-like precursor	0.0036	0.0557	0.0531
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0576	0.0378
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.057	0.0812
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.121	0.1119
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0163	0.5283	0.8486
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0528	0.5
Brugia malayi	Papain family cysteine protease containing protein	0.0028	0.0252	0.0124
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0528	0.0745
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0576	0.0378
Brugia malayi	Bromodomain containing protein	0.0038	0.0656	0.0663
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.005	0.1075	0.1075
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0036	0.0557	0.0531
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.121	0.1119
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.014	0.4428	0.7094
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.121	0.1119
Brugia malayi	Pre-SET motif family protein	0.0033	0.0442	0.0378
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0053	0.121	0.1855
Echinococcus multilocularis	cysteine protease	0.0053	0.121	0.1855
Entamoeba histolytica	cysteine proteinase, putative	0.0053	0.121	1
Leishmania major	cathepsin L-like protease	0.0053	0.121	0.1094
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0817	0.1068
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.005	0.1075	0.1635
Entamoeba histolytica	cysteine protease, putative	0.0053	0.121	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.121	0.1119
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0203	0.6765	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0036	0.0576	0.0557
Schistosoma mansoni	hypothetical protein	0.0036	0.057	0.057
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0442	0.0442
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.0568	0.0809
Echinococcus granulosus	cathepsin L cysteine protease	0.0028	0.0252	0.0295
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0528	0.0323
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0528	0.0493
Trypanosoma cruzi	cysteine peptidase, putative	0.0203	0.6765	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0203	0.6765	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0576	0.0378
Onchocerca volvulus		0.0053	0.121	0.0917
Onchocerca volvulus		0.0035	0.0528	0.0103
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.121	0.1119
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.121	0.1119
Brugia malayi	Cathepsin L-like precursor	0.0053	0.121	0.1403
Schistosoma mansoni	alpha-glucosidase	0.0141	0.4441	0.4441
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0053	0.121	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0576	0.3382
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0576	0.0498
Onchocerca volvulus		0.0053	0.121	0.0917
Schistosoma mansoni	bromodomain containing protein	0.0063	0.1583	0.1583
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0048	0.1005	0.1521
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.014	0.4428	0.7094
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.057	0.057
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0528	0.0323
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.121	0.1119
Trypanosoma cruzi	cruzipain precursor, putative	0.0203	0.6765	1
Brugia malayi	beta-lactamase	0.0035	0.0528	0.0493
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0189	0.6213	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0163	0.5283	0.69
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0528	0.5
Brugia malayi	mbt repeat family protein	0.0048	0.1005	0.1129
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0054	0.125	0.192
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0528	0.2883
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0036	0.0576	0.0823
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0528	0.0323
Brugia malayi	beta-lactamase family protein	0.0035	0.0528	0.0493
Onchocerca volvulus		0.0035	0.0528	0.0103
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0203	0.6765	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.1075	0.1404
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0528	0.0745
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0053	0.121	0.1119
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0528	0.069
Echinococcus granulosus	polycomb protein SCMH1	0.0048	0.1005	0.1521
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0528	0.0424
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.121	0.1119
Entamoeba histolytica	hypothetical protein	0.0036	0.057	0.3314
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0528	0.0528
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0557	0.0728
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.121	0.1119
Trichomonas vaginalis	set domain proteins, putative	0.0259	0.882	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.121	0.1119
Loa Loa (eye worm)	fibroinase	0.0053	0.121	0.1581
Echinococcus granulosus	cathepsin l1	0.0036	0.0557	0.0791
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0028	0.0252	0.0252
Onchocerca volvulus	Cathepsin F homolog	0.0053	0.121	0.0917
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1005	0.1313
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0203	0.6765	1
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0036	0.0576	0.0378
Plasmodium vivax	vivapain-2	0.0053	0.121	1
Trichomonas vaginalis	esterase, putative	0.0035	0.0528	0.0323
Echinococcus granulosus	histone lysine methyltransferase setb	0.005	0.1075	0.1635
Brugia malayi	Cathepsin L-like precursor	0.0053	0.121	0.1403
Brugia malayi	Pre-SET motif family protein	0.0228	0.7656	1
Loa Loa (eye worm)	MBCTL1	0.0054	0.125	0.1633
Echinococcus multilocularis	cathepsin L cysteine protease	0.0053	0.121	0.1855
Entamoeba histolytica	hypothetical protein	0.0036	0.057	0.3314
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0053	0.121	0.1119
Brugia malayi	Cathepsin L-like precursor	0.0053	0.121	0.1403
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0528	0.5
Onchocerca volvulus		0.0259	0.882	1
Brugia malayi	Cathepsin L-like precursor	0.0036	0.0557	0.0531
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.057	0.0812
Brugia malayi	Papain family cysteine protease containing protein	0.0053	0.121	0.1403
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0528	0.0528
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0053	0.121	0.1855
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0398	0.0532
Echinococcus granulosus	SAM and MBT domain containing protein	0.0048	0.1005	0.1521
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.121	0.1119
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0203	0.6765	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0053	0.121	0.1855
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.014	0.4428	0.4428
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0203	0.6765	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0203	0.6765	1
Echinococcus granulosus	neutral alpha glucosidase AB	0.0036	0.0576	0.0823
Toxoplasma gondii	ABC1 family protein	0.0035	0.0528	0.1125
Leishmania major	cathepsin L-like protease	0.0053	0.121	0.1094
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0576	0.0498
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.121	0.1119
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0053	0.121	0.1581
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0189	0.6213	1
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0036	0.0576	0.0378
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.121	0.1119
Onchocerca volvulus		0.0053	0.121	0.0917
Echinococcus granulosus	histone acetyltransferase MYST2	0.0054	0.125	0.192
Entamoeba histolytica	hypothetical protein	0.0036	0.057	0.3314
Onchocerca volvulus		0.0053	0.121	0.0917
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.005	0.1075	0.1075
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0053	0.121	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0053	0.121	0.1581
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.006	0.145	0.2246
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.014	0.4428	0.5783
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0528	0.069
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.121	0.1119
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0053	0.121	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0163	0.5283	0.8486
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.121	0.1119
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.121	0.1119
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0659	0.086
Echinococcus multilocularis	cysteine protease	0.0053	0.121	0.1855
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0203	0.6765	1
Echinococcus granulosus	cathepsin L	0.0028	0.0252	0.0295
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0048	0.1005	0.0672
Leishmania major	cathepsin L-like protease	0.0053	0.121	0.1094
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0054	0.125	0.125
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0036	0.0576	0.1747
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0528	0.0323
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.1005	0.1005
Onchocerca volvulus		0.0053	0.121	0.0917
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0576	0.0378
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.014	0.4428	0.4428
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0203	0.6765	1
Toxoplasma gondii	cathepsin CPL	0.0053	0.121	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.121	0.1119
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0576	0.0378
Trypanosoma cruzi	major cysteine proteinase, putative	0.016	0.5153	0.7525
Onchocerca volvulus	Cathepsin L homolog	0.0053	0.121	0.0917
Onchocerca volvulus	Cathepsin L homolog	0.0053	0.121	0.0917
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0036	0.0576	0.0753
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0228	0.7656	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0746	0.0975
Entamoeba histolytica	cysteine proteinase, putative	0.0036	0.0557	0.3182
Leishmania major	alpha glucosidase II subunit, putative	0.0036	0.0576	0.0077
Mycobacterium ulcerans	lipase LipD	0.0035	0.0528	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0036	0.0557	0.0356
Leishmania major	cathepsin L-like protease	0.0203	0.6765	1
Schistosoma mansoni	alpha glucosidase	0.0036	0.0576	0.0576
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.006	0.145	0.2246
Brugia malayi	Bromodomain containing protein	0.0075	0.2019	0.248
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0033	0.0442	0.0604
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0036	0.0557	0.0356
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.121	0.1119
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0557	0.0728
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.014	0.4428	0.4428
Trypanosoma cruzi	cysteine peptidase, putative	0.0203	0.6765	1
Echinococcus multilocularis	polycomb protein SCMH1	0.0048	0.1005	0.1521
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0576	0.0378
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.121	0.1119
Leishmania major	cathepsin L-like protease	0.0053	0.121	0.1094
Brugia malayi	hypothetical protein	0.0036	0.057	0.0548
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.121	0.1119
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0054	0.125	0.192
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0528	0.069
Onchocerca volvulus		0.0048	0.1005	0.0672
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0576	0.0378
Trypanosoma brucei	glucosidase, putative	0.0036	0.0576	0.0498
Schistosoma mansoni	alpha-glucosidase	0.0141	0.4441	0.4441
Loa Loa (eye worm)	mbt repeat family protein	0.0048	0.1005	0.1313
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0203	0.6765	1
Brugia malayi	Cathepsin L-like precursor	0.0053	0.121	0.1403
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0528	0.0323
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0203	0.6765	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.121	0.1119
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0054	0.125	0.1455
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0576	0.3382
Echinococcus multilocularis	cathepsin L	0.0028	0.0252	0.0295
Entamoeba histolytica	cysteine proteinase, putative	0.0053	0.121	1
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.1005	0.1005
Onchocerca volvulus		0.0053	0.121	0.0917
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0557	0.0728
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0028	0.0252	0.0252
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0071	0.0071
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0186	0.6111	0.8997
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.121	0.1119
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.121	0.1119
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0053	0.121	0.1855
Trypanosoma cruzi	cysteine peptidase, putative	0.0053	0.121	0.1472
Brugia malayi	Cathepsin L-like precursor	0.0036	0.0557	0.0531
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0528	0.5
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0163	0.5283	0.6835
Echinococcus granulosus	lysosomal alpha glucosidase	0.0163	0.5283	0.8486
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0033	0.0442	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0054	0.125	0.1633
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0053	0.121	0.1855
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.014	0.4428	0.5694
Plasmodium vivax	vivapain-2	0.0053	0.121	1
Leishmania major	cathepsin L-like protease	0.0203	0.6765	1
Echinococcus granulosus	cysteine protease	0.0028	0.0252	0.0295
Brugia malayi	Papain family cysteine protease containing protein	0.0028	0.0252	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0053	0.121	0.1581
Onchocerca volvulus		0.0036	0.0557	0.0137
Leishmania major	cathepsin L-like protease	0.0203	0.6765	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0528	0.069
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0528	0.5
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0048	0.1005	0.1005
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0528	0.0424
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.014	0.4428	0.7094
Leishmania major	cysteine peptidase A (CPA)	0.0053	0.121	0.1094
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0028	0.0252	0.0252
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.0568	0.0809
Onchocerca volvulus		0.0095	0.2733	0.2734
Schistosoma mansoni	cathepsin F (C01 family)	0.0036	0.0557	0.0557
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0528	0.069
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0528	0.069
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0528	0.0424
Onchocerca volvulus		0.0053	0.121	0.0917
Schistosoma mansoni	cathepsin F (C01 family)	0.0053	0.121	0.121
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.014	0.4428	0.7094
Loa Loa (eye worm)	ctsf protein	0.0053	0.121	0.1581
Brugia malayi	mbt repeat family protein	0.0048	0.1005	0.1129
Echinococcus granulosus	cathepsin l1	0.0053	0.121	0.1855
Brugia malayi	Cathepsin L-like precursor	0.0053	0.121	0.1403

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (functional)	> 10 uM	Huh7 cytotoxicity for Pf inhibitors	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	= 0.2212 uM	PF proliferation inhibition 3D7	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	= 0.554 uM	W2 Pf proliferation inhibition	Novartis-GNF Malaria Box.	No reference
IFI promiscuity index	= 0.02128	IFI promiscuity index	Novartis-GNF Malaria Box.	No reference

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: 686599
Search by Novartis-GNF Malaria Box

Bibliographic References

No literature references available for this target.

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Detailed information for compound 605543