TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 1075.22 | Formula: C62H65F3N8O6
H donors: 7 H acceptors: 8 LogP: 5.8 Rotable bonds: 17
Rule of 5 violations (Lipinski): 3
SMILES: OC(=O)C(F)(F)F.NCCc1cc2Cc3cc(CCN)cc(c3OCc3cccc(n3)c3cccc(n3)C)Cc3cc(cc(Cc4c(c(Cc(c1)c2O)cc(CCN)c4)OCc1cccc(n1)c1cccc(n1)C)c3O)CCN
InChi: 1S/C60H64N8O4.C2HF3O2/c1-37-7-3-11-53(65-37)55-13-5-9-51(67-55)35-71-59-47-27-41(17-21-63)28-48(59)32-44-24-40(16-20-62)26-46(58(44)70)34-50-30-42(18-22-64)29-49(33-45-25-39(15-19-61)23-43(31-47)57(45)69)60(50)72-36-52-10-6-14-56(68-52)54-12-4-8-38(2)66-54;3-2(4,5)1(6)7/h3-14,23-30,69-70H,15-22,31-36,61-64H2,1-2H3;(H,6,7)
InChiKey: WYHWMZBOIVKMJN-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

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
Plasmodium vivax	hypothetical protein, conserved	0.004	0.0327	0.3918
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0327	0.5117
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0241	0.2977	0.2977
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0626	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0241	0.2977	0.2977
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.0013	0.0043
Echinococcus granulosus	peptidase Clp S14 family	0.0051	0.0463	0.0463
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0241	0.2977	0.2977
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0814	0.2735
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0114	0.1296	0.4352
Mycobacterium tuberculosis	Probable lipase LipD	0.004	0.0327	0.0903
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.002	0.0056	0.0045
Schistosoma mansoni	nuclear receptor nhr-48	0.0114	0.1296	0.1296
Brugia malayi	hypothetical protein	0.0127	0.1476	0.4957
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0327	0.5117
Loa Loa (eye worm)	hypothetical protein	0.0241	0.2977	1
Toxoplasma gondii	hypothetical protein	0.0027	0.0146	0.1659
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0626	1
Brugia malayi	beta-lactamase family protein	0.004	0.0327	0.1097
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0626	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0241	0.2977	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0114	0.1296	0.4328
Echinococcus multilocularis	tumor protein p63	0.0379	0.4791	0.4791
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0145	0.1169
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0145	0.2154
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0013	0.0043
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.004	0.0327	0.1097
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0114	0.1296	0.1296
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0241	0.2977	0.2977
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0327	1
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.0013	0.0043
Brugia malayi	Nuclear hormone receptor E75	0.0114	0.1296	0.4352
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0327	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0445	0.1493
Loa Loa (eye worm)	hypothetical protein	0.0127	0.1476	0.4957
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0077	0.0814	0.0814
Schistosoma mansoni	retinoic acid receptor RXR	0.0241	0.2977	0.2977
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0013	0.0013
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0017	0.0013	0.0013
Brugia malayi	nuclear receptor NHR-88	0.0241	0.2977	1
Mycobacterium tuberculosis	Probable hydrolase	0.004	0.0327	0.0903
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0114	0.1296	0.4352
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.004	0.0327	0.0903
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0013	0.0043
Schistosoma mansoni	hypothetical protein	0.0034	0.0239	0.0239
Brugia malayi	hypothetical protein	0.0114	0.1296	0.4352
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0027	0.0146	0.1659
Mycobacterium leprae	conserved hypothetical protein	0.004	0.0327	0.2716
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0013	0.0013
Loa Loa (eye worm)	hypothetical protein	0.004	0.0327	0.1097
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1296	0.4352
Trichomonas vaginalis	esterase, putative	0.004	0.0327	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0114	0.1296	0.1296
Onchocerca volvulus	Protein ultraspiracle homolog	0.0241	0.2977	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0241	0.2977	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0626	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0127	0.1476	0.4957
Brugia malayi	nuclear receptor NHR-67	0.0114	0.1296	0.4352
Loa Loa (eye worm)	hypothetical protein	0.0241	0.2977	1
Loa Loa (eye worm)	ctsf protein	0.0017	0.0013	0.0043
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0241	0.2977	0.2977
Echinococcus multilocularis	cysteine protease	0.0017	0.0013	0.0013
Mycobacterium leprae	Probable lipase LipE	0.004	0.0327	0.2716
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0013	0.0043
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0626	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.004	0.0327	0.1097
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0013	0.0043
Brugia malayi	tailless protein	0.0114	0.1296	0.4352
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0058	0.0554	0.8824
Brugia malayi	photoreceptor-specific nuclear receptor	0.0241	0.2977	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0127	0.1476	0.1476
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0127	0.1476	0.1476
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0145	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0127	0.1476	0.4957
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0241	0.2977	0.2977
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0241	0.2977	1
Echinococcus multilocularis	FTZ F1 alpha	0.0241	0.2977	0.2977
Loa Loa (eye worm)	nuclear hormone receptor	0.0114	0.1296	0.4352
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0241	0.2977	0.2977
Echinococcus multilocularis	cysteine protease	0.0017	0.0013	0.0013
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0027	0.0145	0.0326
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0027	0.0145	0.1169
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0013	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0145	0.0487
Loa Loa (eye worm)	hypothetical protein	0.002	0.0056	0.0189
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0626	1
Brugia malayi	ecdysteroid receptor	0.0241	0.2977	1
Loa Loa (eye worm)	hypothetical protein	0.0127	0.1476	0.4957
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0626	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0013	0.0043
Loa Loa (eye worm)	hypothetical protein	0.004	0.0327	0.1097
Schistosoma mansoni	RAR-like nuclear receptor	0.0241	0.2977	0.2977
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0241	0.2977	1
Brugia malayi	beta-lactamase	0.004	0.0327	0.1097
Loa Loa (eye worm)	hypothetical protein	0.0241	0.2977	1
Loa Loa (eye worm)	hypothetical protein	0.0127	0.1476	0.4957
Onchocerca volvulus		0.004	0.0327	0.1059
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0241	0.2977	0.2977
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1296	0.4352
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0241	0.2977	0.2977
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0027	0.0145	0.1169
Entamoeba histolytica	acyl-coA synthetase, putative	0.0027	0.0145	1
Brugia malayi	nuclear receptor NHR-88	0.0114	0.1296	0.4352
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.004	0.0327	0.0903
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0241	0.2977	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0077	0.0814	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0145	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0145	0.0487
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0017	0.0013	0.0043
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0145	0.0487
Brugia malayi	Steroid receptor seven-up type 2	0.0241	0.2977	1
Loa Loa (eye worm)	cysteine protease	0.0017	0.0013	0.0043
Onchocerca volvulus		0.0114	0.1296	0.4328
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0114	0.1296	0.1296
Mycobacterium ulcerans	beta-lactamase	0.004	0.0327	0.3568
Schistosoma mansoni	nuclear hormone receptor	0.0241	0.2977	0.2977
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1296	0.4352
Onchocerca volvulus		0.0241	0.2977	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0127	0.1476	0.1476
Brugia malayi	Probable ClpP-like protease	0.0077	0.0814	0.2735
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0027	0.0146	0.1659
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0241	0.2977	1
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1296	0.4352
Echinococcus granulosus	cathepsin l1	0.0017	0.0013	0.0013
Brugia malayi	hypothetical protein	0.0114	0.1296	0.4352
Loa Loa (eye worm)	beta-lactamase	0.004	0.0327	0.1097
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0241	0.2977	0.2977
Schistosoma mansoni	zinc finger protein	0.0114	0.1296	0.1296
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0626	1
Plasmodium falciparum	acyl-CoA synthetase	0.002	0.0056	0.0544
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0051	0.0463	0.1334
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0027	0.0145	0.1169
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0114	0.1296	0.1296
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0145	0.1169
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0327	0.0327
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0814	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0241	0.2977	0.2977
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0145	0.2154
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0114	0.1296	0.1296
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0241	0.2977	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0814	1
Brugia malayi	steroid hormone receptor	0.0241	0.2977	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0051	0.0463	0.475
Loa Loa (eye worm)	hypothetical protein	0.0127	0.1476	0.4957
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0241	0.2977	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0626	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0241	0.2977	0.2977
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0241	0.2977	0.2977
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0051	0.0463	0.1334
Loa Loa (eye worm)	hypothetical protein	0.0241	0.2977	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.0327	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0241	0.2977	0.2977
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0013	0.0013
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0626	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0114	0.1296	0.4328
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0239	0.0802
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0241	0.2977	0.2977
Loa Loa (eye worm)	hypothetical protein	0.002	0.0056	0.0189
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0017	0.0013	0.0013
Onchocerca volvulus		0.004	0.0327	0.1059
Mycobacterium ulcerans	esterase/lipase LipP	0.004	0.0327	0.3568
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.004	0.0327	0.3568
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0814	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0241	0.2977	1
Mycobacterium ulcerans	hypothetical protein	0.004	0.0327	0.3568
Brugia malayi	Nuclear hormone receptor-like 1	0.0241	0.2977	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0626	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0241	0.2977	1
Onchocerca volvulus		0.0027	0.0145	0.0446
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1296	0.4352
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1296	0.4352
Echinococcus granulosus	tumor protein p63	0.0379	0.4791	0.4791
Loa Loa (eye worm)	DR-78	0.0114	0.1296	0.4352
Brugia malayi	ecdysone receptor	0.0114	0.1296	0.4352
Mycobacterium tuberculosis	Probable esterase LipL	0.004	0.0327	0.0903
Trichomonas vaginalis	D-aminoacylase, putative	0.004	0.0327	1
Schistosoma mansoni	nuclear receptor	0.0114	0.1296	0.1296
Mycobacterium ulcerans	lipase LipD	0.004	0.0327	0.3568
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0626	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0114	0.1296	0.1296
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0114	0.1296	0.1296
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0258	0.3196	1
Onchocerca volvulus		0.004	0.0327	0.1059
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1296	0.4352
Brugia malayi	nuclear receptor RXR	0.0114	0.1296	0.4352
Brugia malayi	nuclear hormone receptor	0.0114	0.1296	0.4352
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0241	0.2977	1
Brugia malayi	nuclear receptor RXR	0.0127	0.1476	0.4957
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0027	0.0145	0.1169
Loa Loa (eye worm)	hypothetical protein	0.0241	0.2977	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0241	0.2977	1
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1296	0.4352
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0241	0.2977	0.2977
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0013	0.0043
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.004	0.0327	0.0903
Trypanosoma cruzi	cruzipain precursor, putative	0.0063	0.0626	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0114	0.1296	0.1296
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0063	0.0626	1
Loa Loa (eye worm)	hypothetical protein	0.0241	0.2977	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0056	0.0189
Echinococcus granulosus	ecdysone induced protein 78C	0.0241	0.2977	0.2977
Toxoplasma gondii	ABC1 family protein	0.004	0.0327	0.3918
Brugia malayi	Nuclear hormone receptor-like 1	0.0127	0.1476	0.4957
Echinococcus granulosus	beta LACTamase domain containing family member	0.004	0.0327	0.0327
Echinococcus multilocularis	beta LACTamase domain containing family member	0.004	0.0327	0.0327
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0027	0.0145	0.0326
Onchocerca volvulus		0.0055	0.0526	0.1731
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0814	1
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0145	0.0487
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0013	0.0043
Mycobacterium tuberculosis	Conserved protein	0.004	0.0327	0.0903
Schistosoma mansoni	thyroid hormone receptor	0.0241	0.2977	0.2977
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1296	0.4352
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.0814	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.0327	0.0327
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0814	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0013	0.0013
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0077	0.0814	1
Loa Loa (eye worm)	hypothetical protein	0.0241	0.2977	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0114	0.1296	0.1296
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1296	0.4352
Schistosoma mansoni	peptidase Clp (S14 family)	0.0077	0.0814	0.0814
Brugia malayi	conserved hypotetical protein	0.0114	0.1296	0.4352
Trypanosoma cruzi	major cysteine proteinase, putative	0.005	0.0448	0.7098
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1296	0.4352
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0241	0.2977	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0051	0.0463	0.0463
Mycobacterium tuberculosis	Conserved protein	0.004	0.0327	0.0903
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0241	0.2977	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0327	0.1097
Leishmania major	hypothetical protein, conserved	0.004	0.0327	0.5117
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0145	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0241	0.2977	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0127	0.1476	0.1476
Schistosoma mansoni	nuclear hormone receptor	0.0114	0.1296	0.1296
Onchocerca volvulus		0.0114	0.1296	0.4328
Brugia malayi	nuclear hormone receptor	0.0241	0.2977	1
Schistosoma mansoni	nuclear receptor	0.0114	0.1296	0.1296
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0145	0.2154
Leishmania major	cathepsin L-like protease	0.0063	0.0626	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0114	0.1296	0.1296
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0445	0.1493
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0241	0.2977	0.2977
Brugia malayi	Nuclear hormone receptor E75	0.0114	0.1296	0.4352
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0241	0.2977	0.2977
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0241	0.2977	1
Onchocerca volvulus	Bile acid receptor homolog	0.0241	0.2977	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0114	0.1296	0.1296
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0626	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0241	0.2977	1
Mycobacterium ulcerans	hypothetical protein	0.0027	0.0145	0.1169
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0145	0.0487
Brugia malayi	beta-lactamase family protein	0.004	0.0327	0.1097
Loa Loa (eye worm)	hypothetical protein	0.004	0.0327	0.1097
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0127	0.1476	0.4957
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1296	0.4352
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0114	0.1296	0.4352
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1296	0.4352
Mycobacterium tuberculosis	Probable lipase LipE	0.004	0.0327	0.0903
Loa Loa (eye worm)	hypothetical protein	0.004	0.0327	0.1097
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0114	0.1296	0.1296
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0241	0.2977	0.2977
Leishmania major	cathepsin L-like protease	0.0063	0.0626	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0239	0.0802
Schistosoma mansoni	cellular tumor antigen P53	0.0055	0.0526	0.0526
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0114	0.1296	0.4352
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0114	0.1296	0.1296
Brugia malayi	hypothetical protein	0.0127	0.1476	0.4957
Echinococcus granulosus	FTZ F1 alpha	0.0241	0.2977	0.2977
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0241	0.2977	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0114	0.1296	0.1296
Schistosoma mansoni	coup transcription factor	0.0241	0.2977	0.2977
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0241	0.2977	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0327	0.1097
Brugia malayi	nuclear hormone receptor family member odr-7	0.0114	0.1296	0.4352
Plasmodium vivax	acyl-CoA synthetase, putative	0.002	0.0056	0.0544
Loa Loa (eye worm)	fibroinase	0.0017	0.0013	0.0043
Loa Loa (eye worm)	hypothetical protein	0.002	0.0056	0.0189
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0027	0.0146	0.0012
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0145	0.1169
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0814	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.004	0.0327	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0445	0.1493
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0526	0.1766
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.0814	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0241	0.2977	0.2977
Loa Loa (eye worm)	steroid hormone receptor	0.0241	0.2977	1
Schistosoma mansoni	nuclear hormone receptor	0.0114	0.1296	0.1296
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0013	0.0013
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0241	0.2977	0.2977
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0241	0.2977	1
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0077	0.0814	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0445	0.1493
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0077	0.0814	0.0814
Loa Loa (eye worm)	hypothetical protein	0.0241	0.2977	1
Schistosoma mansoni	thyroid hormone receptor	0.0241	0.2977	0.2977
Brugia malayi	orphan nuclear receptor NR2E1	0.0114	0.1296	0.4352
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0241	0.2977	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0056	0.0189
Leishmania major	cathepsin L-like protease	0.0063	0.0626	1
Mycobacterium tuberculosis	Conserved protein	0.004	0.0327	0.0903
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0241	0.2977	0.2977

Activities

Activity type	Activity value	Assay description	Source	Reference
GI (functional)	= 0 %	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv at 10 uM after 6 days by MTT assay	ChEMBL.	22361273
GI (functional)	= 7 %	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv at 1 uM after 6 days by MTT assay	ChEMBL.	22361273
IC50 (functional)		Antimycobacterial activity against Mycobacterium tuberculosis H37Rv after 6 days by MTT assay	ChEMBL.	22361273
MIC (functional)		Antimycobacterial activity against Mycobacterium tuberculosis H37Rv after 6 days by MTT assay	ChEMBL.	22361273

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.

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External resources for this compound

ChEMBL: CHEMBL1958227

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1616737