TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 238.263 | Formula: C10H10N2O3S
H donors: 2 H acceptors: 4 LogP: 0.89 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)[C@@]1(C)CSC(=N1)c1ncccc1O
InChi: 1S/C10H10N2O3S/c1-10(9(14)15)5-16-8(12-10)7-6(13)3-2-4-11-7/h2-4,13H,5H2,1H3,(H,14,15)/t10-/m1/s1
InChiKey: MJWAGSZZOQMRNY-SNVBAGLBSA-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	0.010348	0.0081715	0.0290485
Trypanosoma brucei	calpain-like protein, putative	0.0184864	0.0585444	0.642896
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0193032	0.0636	0.23881
Toxoplasma gondii	cathepsin B	0.0230069	0.0865247	1
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0163324	0.0452123	0.522537
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0193032	0.0636	0.0831616
Echinococcus granulosus	cathepsin b	0.052055	0.26632	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0409212	0.197407	0.688326
Leishmania major	kinesin, putative	0.0111294	0.0130079	0.0617258
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0193032	0.0636	0.0636
Schistosoma mansoni	nuclear hormone receptor	0.0193032	0.0636	0.0636
Loa Loa (eye worm)	hypothetical protein	0.0296564	0.127682	0.479431
Loa Loa (eye worm)	hypothetical protein	0.052055	0.26632	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0193032	0.0636	0.322178
Echinococcus multilocularis	cathepsin b	0.052055	0.26632	1
Brugia malayi	nuclear hormone receptor	0.0193032	0.0636	0.23881
Loa Loa (eye worm)	hypothetical protein	0.0163324	0.0452123	0.169767
Brugia malayi	cathepsin B-like cysteine proteinase	0.052055	0.26632	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0193032	0.0636	0.0831616
Loa Loa (eye worm)	hypothetical protein	0.0193032	0.0636	0.23881
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0409212	0.197407	0.688326
Schistosoma mansoni	retinoic acid receptor RXR	0.0409212	0.197407	0.197407
Brugia malayi	steroid hormone receptor	0.0409212	0.197407	0.741238
Onchocerca volvulus	Protein ultraspiracle homolog	0.0409212	0.197407	1
Loa Loa (eye worm)	hypothetical protein	0.0193032	0.0636	0.23881
Loa Loa (eye worm)	hypothetical protein	0.0216181	0.0779282	0.292611
Plasmodium vivax	plasmepsin IV, putative	0.0163324	0.0452123	0.772274
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0230069	0.0865247	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0409212	0.197407	0.688326
Echinococcus granulosus	cathepsin b	0.052055	0.26632	1
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.0184864	0.0585444	0.642896
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0409212	0.197407	0.688326
Schistosoma mansoni	cathepsin D (A01 family)	0.0349717	0.160582	0.160582
Echinococcus granulosus	calpain A	0.0184864	0.0585444	0.0602968
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0184864	0.0585444	0.218512
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0409212	0.197407	0.741238
Loa Loa (eye worm)	DR-78	0.0193032	0.0636	0.23881
Onchocerca volvulus	Bile acid receptor homolog	0.0409212	0.197407	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0184864	0.0585444	0.218512
Brugia malayi	nuclear hormone receptor family member odr-7	0.0193032	0.0636	0.23881
Schistosoma mansoni	nuclear hormone receptor	0.0409212	0.197407	0.197407
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0409212	0.197407	0.741238
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0409212	0.197407	0.741238
Schistosoma mansoni	RAR-like nuclear receptor	0.0409212	0.197407	0.197407
Echinococcus multilocularis	calpain	0.0184864	0.0585444	0.0602968
Loa Loa (eye worm)	hypothetical protein	0.0193032	0.0636	0.23881
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0163324	0.0452123	0.169767
Plasmodium vivax	calpain, putative	0.0184864	0.0585444	1
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0417725	0.202675	0.712155
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0230069	0.0865247	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0409212	0.197407	0.688326
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0184864	0.0585444	0.218512
Echinococcus multilocularis	ecdysone induced protein 78C	0.0409212	0.197407	0.688326
Loa Loa (eye worm)	hypothetical protein	0.0193032	0.0636	0.23881
Brugia malayi	calpain 5	0.0111294	0.0130079	0.0488431
Onchocerca volvulus		0.0222994	0.0821455	0.416124
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0409212	0.197407	0.688326
Loa Loa (eye worm)	nuclear hormone receptor	0.0193032	0.0636	0.23881
Schistosoma mansoni	calpain-7 (C02 family)	0.0184864	0.0585444	0.0585444
Plasmodium falciparum	plasmepsin IV	0.0163324	0.0452123	1
Brugia malayi	nuclear hormone receptor	0.0409212	0.197407	0.741238
Brugia malayi	hypothetical protein	0.0216181	0.0779282	0.292611
Echinococcus granulosus	calpain A	0.0418131	0.202927	0.713292
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0193032	0.0636	0.322178
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0193032	0.0636	0.23881
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0230069	0.0865247	1
Trypanosoma cruzi	kinesin, putative	0.0111294	0.0130079	0.0472393
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0193032	0.0636	0.0831616
Giardia lamblia	Cathepsin B precursor	0.0230069	0.0865247	0.5
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0193032	0.0636	0.0831616
Plasmodium falciparum	plasmepsin VI	0.0163324	0.0452123	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0409212	0.197407	0.741238
Entamoeba histolytica	calpain large subunit domain III containing protein	0.0111294	0.0130079	0.5
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0184864	0.0585444	0.218512
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0184864	0.0585444	0.218512
Brugia malayi	nuclear receptor NHR-88	0.0409212	0.197407	0.741238
Schistosoma mansoni	calpain C (C02 family)	0.0184864	0.0585444	0.0585444
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0409212	0.197407	0.741238
Onchocerca volvulus		0.0193032	0.0636	0.322178
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.052055	0.26632	0.26632
Brugia malayi	calpain family protein 1	0.0407858	0.196568	0.738091
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0193032	0.0636	0.23881
Brugia malayi	hypothetical protein	0.0216181	0.0779282	0.292611
Brugia malayi	tailless protein	0.0193032	0.0636	0.23881
Loa Loa (eye worm)	hypothetical protein	0.0409212	0.197407	0.741238
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0193032	0.0636	0.23881
Brugia malayi	conserved hypotetical protein	0.0193032	0.0636	0.23881
Echinococcus granulosus	thyroid hormone receptor alpha	0.0193032	0.0636	0.0831616
Schistosoma mansoni	calpain-7 (C02 family)	0.0184864	0.0585444	0.0585444
Onchocerca volvulus		0.0409212	0.197407	1
Giardia lamblia	Cathepsin B precursor	0.0230069	0.0865247	0.5
Schistosoma mansoni	calpain (C02 family)	0.0184864	0.0585444	0.0585444
Brugia malayi	Nuclear hormone receptor-like 1	0.0409212	0.197407	0.741238
Loa Loa (eye worm)	calpain 5	0.0111294	0.0130079	0.0488431
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0407858	0.196568	0.196568
Brugia malayi	nuclear receptor RXR	0.0193032	0.0636	0.23881
Loa Loa (eye worm)	hypothetical protein	0.0409212	0.197407	0.741238
Loa Loa (eye worm)	hypothetical protein	0.0409212	0.197407	0.741238
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0409212	0.197407	0.741238
Echinococcus multilocularis	nuclear receptor nhr 48	0.0193032	0.0636	0.0831616
Echinococcus multilocularis	cathepsin b	0.052055	0.26632	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0193032	0.0636	0.0831616
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0409212	0.197407	0.741238
Loa Loa (eye worm)	hypothetical protein	0.0409212	0.197407	0.741238
Trypanosoma brucei	antigen, putative	0.0184864	0.0585444	0.642896
Echinococcus granulosus	calpain 7 C02 family	0.0184864	0.0585444	0.0602968
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0193032	0.0636	0.0831616
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0409212	0.197407	0.741238
Loa Loa (eye worm)	hypothetical protein	0.0193032	0.0636	0.23881
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0409212	0.197407	0.197407
Loa Loa (eye worm)	hypothetical protein	0.0193032	0.0636	0.23881
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0417725	0.202675	0.712155
Schistosoma mansoni	nuclear receptor	0.0193032	0.0636	0.0636
Loa Loa (eye worm)	hypothetical protein	0.0222994	0.0821455	0.308447
Echinococcus multilocularis	FTZ F1 alpha	0.0409212	0.197407	0.688326
Brugia malayi	Steroid receptor seven-up type 2	0.0409212	0.197407	0.741238
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0216181	0.0779282	0.292611
Loa Loa (eye worm)	steroid hormone receptor	0.0409212	0.197407	0.741238
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0216181	0.0779282	0.147963
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.052055	0.26632	0.26632
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0409212	0.197407	0.688326
Loa Loa (eye worm)	hypothetical protein	0.0193032	0.0636	0.23881
Brugia malayi	orphan nuclear receptor NR2E1	0.0193032	0.0636	0.23881
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0409212	0.197407	0.197407
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0230069	0.0865247	0.0865247
Schistosoma mansoni	zinc finger protein	0.0193032	0.0636	0.0636
Brugia malayi	Nuclear hormone receptor-like 1	0.0216181	0.0779282	0.292611
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0409212	0.197407	0.197407
Loa Loa (eye worm)	hypothetical protein	0.0193032	0.0636	0.23881
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0409212	0.197407	0.197407
Schistosoma mansoni	cathepsin D (A01 family)	0.0349717	0.160582	0.160582
Schistosoma mansoni	thyroid hormone receptor	0.0409212	0.197407	0.197407
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0193032	0.0636	0.0831616
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.052055	0.26632	0.26632
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0193032	0.0636	0.0831616
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.052055	0.26632	1
Onchocerca volvulus		0.0193032	0.0636	0.322178
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.052055	0.26632	0.26632
Loa Loa (eye worm)	calpain	0.0184864	0.0585444	0.219827
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0409212	0.197407	0.741238
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0409212	0.197407	0.688326
Loa Loa (eye worm)	hypothetical protein	0.0193032	0.0636	0.23881
Brugia malayi	ecdysteroid receptor	0.0409212	0.197407	0.741238
Schistosoma mansoni	memapsin-2 (A01 family)	0.17059	1	1
Trypanosoma brucei	calpain-like protein, putative	0.0184864	0.0585444	0.642896
Plasmodium vivax	aspartyl proteinase, putative	0.0163324	0.0452123	0.772274
Toxoplasma gondii	aspartyl protease ASP1	0.0163324	0.0452123	0.522537
Echinococcus granulosus	nuclear receptor nhr 48	0.0193032	0.0636	0.0831616
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0216181	0.0779282	0.0779282
Echinococcus granulosus	calpain	0.0184864	0.0585444	0.0602968
Schistosoma mansoni	nuclear hormone receptor	0.0193032	0.0636	0.0636
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0417725	0.202675	0.202675
Trypanosoma cruzi	cysteine peptidase, putative	0.010348	0.0081715	0.0290485
Brugia malayi	hypothetical protein	0.0193032	0.0636	0.23881
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0409212	0.197407	0.741238
Echinococcus granulosus	calpain 5	0.0184864	0.0585444	0.0602968
Brugia malayi	nuclear receptor NHR-88	0.0193032	0.0636	0.23881
Brugia malayi	Nuclear hormone receptor E75	0.0193032	0.0636	0.23881
Schistosoma mansoni	thyroid hormone receptor	0.0409212	0.197407	0.197407
Plasmodium falciparum	plasmepsin I	0.0163324	0.0452123	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0409212	0.197407	0.741238
Giardia lamblia	Cathepsin B precursor	0.0230069	0.0865247	0.5
Loa Loa (eye worm)	hypothetical protein	0.0409212	0.197407	0.741238
Echinococcus granulosus	FTZ F1 alpha	0.0409212	0.197407	0.688326
Loa Loa (eye worm)	hypothetical protein	0.0409212	0.197407	0.741238
Loa Loa (eye worm)	hypothetical protein	0.0216181	0.0779282	0.292611
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0184864	0.0585444	0.642896
Brugia malayi	ecdysone receptor	0.0193032	0.0636	0.23881
Loa Loa (eye worm)	hypothetical protein	0.0193032	0.0636	0.23881
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0409212	0.197407	0.741238
Loa Loa (eye worm)	hypothetical protein	0.0193032	0.0636	0.23881
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0216181	0.0779282	0.0779282
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0184864	0.0585444	0.642896
Loa Loa (eye worm)	hypothetical protein	0.0409212	0.197407	0.741238
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0184864	0.0585444	0.218512
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0409212	0.197407	0.741238
Loa Loa (eye worm)	hypothetical protein	0.0407858	0.196568	0.738091
Loa Loa (eye worm)	calpain family protein 1	0.0407858	0.196568	0.738091
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0184864	0.0585444	0.218512
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0409212	0.197407	0.688326
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0409212	0.197407	0.741238
Trypanosoma brucei	calpain-like protein, putative	0.0184864	0.0585444	0.642896
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0409212	0.197407	0.741238
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0409212	0.197407	0.741238
Loa Loa (eye worm)	calpain family protein 1	0.0296564	0.127682	0.479431
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0409212	0.197407	0.688326
Loa Loa (eye worm)	hypothetical protein	0.0334288	0.151032	0.567106
Schistosoma mansoni	nuclear receptor nhr-48	0.0193032	0.0636	0.0636
Loa Loa (eye worm)	hypothetical protein	0.0193032	0.0636	0.23881
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0409212	0.197407	0.741238
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0230069	0.0865247	0.323751
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0409212	0.197407	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0184864	0.0585444	0.642896
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0184864	0.0585444	0.218512
Trypanosoma cruzi	kinesin, putative	0.0111294	0.0130079	0.0472393
Echinococcus multilocularis	calpain 5	0.0184864	0.0585444	0.0602968
Loa Loa (eye worm)	hypothetical protein	0.0216181	0.0779282	0.292611
Loa Loa (eye worm)	hypothetical protein	0.0216181	0.0779282	0.292611
Brugia malayi	photoreceptor-specific nuclear receptor	0.0409212	0.197407	0.741238
Trypanosoma brucei	kinesin, putative	0.0111294	0.0130079	0.0617258
Trypanosoma cruzi	cruzipain precursor, putative	0.010348	0.0081715	0.0290485
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0409212	0.197407	0.741238
Echinococcus multilocularis	calpain family protein 1, d	0.0296564	0.127682	0.372984
Trypanosoma cruzi	cysteine peptidase, putative	0.010348	0.0081715	0.0290485
Loa Loa (eye worm)	hypothetical protein	0.0216181	0.0779282	0.292611
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0409212	0.197407	0.688326
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0409212	0.197407	0.741238
Echinococcus multilocularis	hypothetical protein	0.0184864	0.0585444	0.0602968
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0193032	0.0636	0.0831616
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0409212	0.197407	0.197407
Trypanosoma brucei	calpain-like protein, putative	0.0184864	0.0585444	0.642896
Brugia malayi	Nuclear hormone receptor-like 1	0.0216181	0.0779282	0.292611
Loa Loa (eye worm)	hypothetical protein	0.0193032	0.0636	0.23881
Schistosoma mansoni	nuclear receptor	0.0193032	0.0636	0.0636
Brugia malayi	calpain 7	0.0184864	0.0585444	0.219827
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0409212	0.197407	0.688326
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0409212	0.197407	0.197407
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0216181	0.0779282	0.147963
Entamoeba histolytica	protein kinase, putative	0.0111294	0.0130079	0.5
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0193032	0.0636	0.0636
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0184864	0.0585444	0.218512
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0409212	0.197407	0.688326
Schistosoma mansoni	coup transcription factor	0.0409212	0.197407	0.197407
Loa Loa (eye worm)	hypothetical protein	0.0409212	0.197407	0.741238
Loa Loa (eye worm)	cathepsin B	0.0230069	0.0865247	0.32489
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0409212	0.197407	0.197407
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0409212	0.197407	0.741238
Echinococcus multilocularis	calpain A	0.0418131	0.202927	0.713292
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0409212	0.197407	0.688326
Echinococcus multilocularis	calpain 7 (C02 family)	0.0184864	0.0585444	0.0602968
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0184864	0.0585444	0.642896
Brugia malayi	Nuclear hormone receptor E75	0.0193032	0.0636	0.23881
Brugia malayi	nuclear receptor NHR-67	0.0193032	0.0636	0.23881
Brugia malayi	calpain family protein 1	0.0407858	0.196568	0.738091
Brugia malayi	hypothetical protein	0.0193032	0.0636	0.23881
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0409212	0.197407	0.688326
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0184864	0.0585444	0.218512
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0417725	0.202675	0.202675
Brugia malayi	nuclear receptor RXR	0.0216181	0.0779282	0.292611
Schistosoma mansoni	Mername-AA248 (C02 family)	0.0184864	0.0585444	0.0585444
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0163324	0.0452123	0.0452123
Plasmodium falciparum	plasmepsin II	0.0163324	0.0452123	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Efficiency (functional)	= 5.5 %	Efficiency of the chelator [(net iron excretion ) / (total iron binding capacity of chelator)] to induce iron clearance in rat at a peroral dose of 150 micromol/kg.	ChEMBL.	9888836
Efficiency (functional)	= 5.5 %	The compound was tested in vivo for the iron clearing activity against non-iron-overloaded-bile duct cannulated rat,at a concentration of 150 microM/Kg	ChEMBL.	10395484
Efficiency (functional)	= 16.1 %	Efficiency of the chelator [(net iron excretion ) / (total iron binding capacity of chelator)] to induce iron clearance in monkey at a peroral dose of 150 uMol/kg.	ChEMBL.	9888836
Efficiency (functional)	= 16.1 %	The compound was tested in vivo for the iron clearing activity against non -iron-overloaded C. apella monkey at a concentration of 150 microM/Kg	ChEMBL.	10395484
IC50 (functional)	= 2.9 uM	Antimalarial activity against liver stages of Plasmodium falciparum after 96 hrs	ChEMBL.	22122518
IC50 (functional)	= 10 uM	Antimalarial activity against liver stages of Plasmodium yoelii after 96 hrs	ChEMBL.	22122518
K app	= 0.017	Octanol-water apparent distribution coefficient of the compound measured in TRIS buffer at a pH 7.4.	ChEMBL.	9888836
logD	= -1.77	log P value of the compound measured in TRIS buffer at a pH 7.4.	ChEMBL.	9888836
No. of deaths (ADMET)	0	Chronic toxicity of the compound in 5 rats administered by gavage at a dose of 384[uMol/kg/day]X10days, measured as number of deaths. Activity value is 5/5	ChEMBL.	9888836
Postdrug (functional)	= 500 ug kg-1	The amount of iron absorbed by the treated animals at postdrug dosage of 150(micromol/kg) (route per oral)using 40% cremophore as vehical in Cebus monkeys	ChEMBL.	8648596
Predrug (functional)	= 230 ug kg-1	The amount of iron absorbed by the untreated over a period of 3 days animals at predrug dosage of 150(micromol/kg) (route per oral)using 40% cremophore as vehical in Cebus monkeys	ChEMBL.	8648596
T1/2 (ADMET)	Stable 0 hr	Tested for the half life period of the compound at the pH of 7.2; Stable	ChEMBL.	8071936
T1/2 (ADMET)	= 18.6 hr	Tested for the half life period of the compound at the pH of 2.5	ChEMBL.	8071936
Total iron output (functional)	= 27 ug kg-1	Total iron output induced by the compound (oral administration) and bile duct cannulated rat and the drug-promoted iron excretion was monitored in the urine at 24 hr	ChEMBL.	2066978
Total iron output (functional)	= 64.5 ug kg-1	Total iron output induced by the compound (oral administration) and bile duct cannulated rat and the drug-promoted iron excretion was monitored in the bile at 3h	ChEMBL.	2066978
Total iron output (functional)	= 143 ug kg-1	Total iron output induced by the compound (oral administration) and bile duct cannulated rat and the drug-promoted iron excretion was monitored in the bile at 6 hr	ChEMBL.	2066978
Total iron output (functional)	= 205.3 ug kg-1	Total iron output induced by the compound (oral administration) and bile duct cannulated rat and the drug-promoted iron excretion was monitored in the bile at 9 h	ChEMBL.	2066978
Total iron output (functional)	= 234.8 ug kg-1	Total iron output induced by the compound (oral administration) and bile duct cannulated rat and the drug-promoted iron excretion was monitored in the bile at 12 hr	ChEMBL.	2066978
Total iron output (functional)	= 245.6 ug kg-1	Total iron output induced by the compound (oral administration) and bile duct cannulated rat and the drug-promoted iron excretion was monitored in the bile at 15 hr	ChEMBL.	2066978
Total iron output (functional)	= 253.7 ug kg-1	Total iron output induced by the compound (oral administration) and bile duct cannulated rat and the drug-promoted iron excretion was monitored in the bile at 18 h	ChEMBL.	2066978
Total iron output (functional)	= 263.1 ug kg-1	Total iron output induced by the compound (oral administration) and bile duct cannulated rat and the drug-promoted iron excretion was monitored in the bile at 21 hr	ChEMBL.	2066978
Total iron output (functional)	= 268.5 ug kg-1	Total iron output induced by the compound (oral administration) and bile duct cannulated rat and the drug-promoted iron excretion was monitored in the bile at 24 hr	ChEMBL.	2066978

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	22122518
Plasmodium yoelii	ChEMBL23	22122518

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: CHEMBL11301

Bibliographic References

5 literature references were collected for this gene.

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Detailed information for compound 8323