TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 572.648 | Formula: C33H36N2O7
H donors: 1 H acceptors: 1 LogP: 4.85 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: COc1ccc(cc1)NCC1=Cc2cc3OCOc3cc2[C@H]([C@@H]1C(=O)N1CCCC1)c1cc(OC)c(c(c1)OC)OC
InChi: 1S/C33H36N2O7/c1-37-24-9-7-23(8-10-24)34-18-22-13-20-14-26-27(42-19-41-26)17-25(20)30(31(22)33(36)35-11-5-6-12-35)21-15-28(38-2)32(40-4)29(16-21)39-3/h7-10,13-17,30-31,34H,5-6,11-12,18-19H2,1-4H3/t30-,31-/m1/s1
InChiKey: OIQULNBHXFESCB-FIRIVFDPSA-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
Brugia malayi	Papain family cysteine protease containing protein	0.0034	0.1472	0.3013
Plasmodium vivax	vivapain-2	0.0034	0.1472	0.7768
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0034	0.1472	0.7768
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.2146	0.6922
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0039	0.1894	0.4614
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0022	0.0374	0.0374
Trypanosoma cruzi	target of rapamycin kinase 3	0.0042	0.215	0.215
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0001	0.0001
Echinococcus multilocularis	cysteine protease	0.0034	0.1472	0.3013
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.1223	0.3946
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1472	0.3948
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0034	0.1472	0.7768
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0025	0.0642	0.0642
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0034	0.1472	0.3948
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0052	0.31	0.6348
Schistosoma mansoni	apoferritin-2	0.0028	0.0892	0.1827
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.011	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1894	0.5083
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.1705	0.3745
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0052	0.31	0.6348
Trichomonas vaginalis	ferritin, putative	0.0028	0.0892	0.2877
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.1472	0.4746
Schistosoma mansoni	ferritin	0.0028	0.0892	0.1827
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0001	0.0002
Echinococcus multilocularis	cysteine protease	0.0034	0.1472	0.3013
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.1472	0.4746
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0468	0.151
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0118	0.8997	0.8997
Leishmania major	4-coumarate:coa ligase-like protein	0.0052	0.3064	0.3064
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0018	0.0001	0.0001
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0052	0.31	0.6348
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.1472	0.4746
Plasmodium vivax	vivapain-2	0.0034	0.1472	0.7768
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.1472	0.4746
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0052	0.31	0.6348
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0001	0.0002
Echinococcus granulosus	ferritin	0.0028	0.0892	0.1827
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0034	0.1472	0.3948
Schistosoma mansoni	cathepsin F (C01 family)	0.0034	0.1472	0.3013
Schistosoma mansoni	hypothetical protein	0.0019	0.011	0.0226
Loa Loa (eye worm)	fibroinase	0.0034	0.1472	0.3948
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.1472	0.3013
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.3064	0.6274
Entamoeba histolytica	acyl-coA synthetase, putative	0.0052	0.3064	0.6274
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0951	0.3068
Echinococcus multilocularis	cathepsin L cysteine protease	0.0034	0.1472	0.3013
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0018	0.0001	0.0001
Onchocerca volvulus		0.0034	0.1472	0.3865
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0955	0.308
Loa Loa (eye worm)	phosphatidylinositol 3	0.0052	0.31	0.832
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0951	0.3068
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.1472	0.4746
Leishmania major	cathepsin L-like protease	0.0034	0.1472	0.1471
Schistosoma mansoni	ferritin	0.0028	0.0892	0.1827
Loa Loa (eye worm)	hypothetical protein	0.0052	0.3064	0.8223
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0034	0.1472	0.3013
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.1565	0.5048
Loa Loa (eye worm)	ctsf protein	0.0034	0.1472	0.3948
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.1472	0.4746
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0955	0.308
Leishmania major	cathepsin L-like protease	0.0034	0.1472	0.1471
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0059	0.3726	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.011	0.0294
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0052	0.31	0.31
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.31	1
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0468	0.0959
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.1905	0.6145
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0018	0.0001	0.0001
Plasmodium vivax	acyl-CoA synthetase, putative	0.0039	0.1894	1
Schistosoma mansoni	transcription factor LCR-F1	0.0072	0.4884	1
Echinococcus granulosus	cathepsin l1	0.0034	0.1472	0.3013
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0955	0.308
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0023	0.0468	0.0959
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0052	0.3064	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0052	0.3064	1
Entamoeba histolytica	cysteine protease, putative	0.0034	0.1472	0.3013
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0018	0.0001	0.0001
Mycobacterium ulcerans	hypothetical protein	0.0052	0.3064	1
Entamoeba histolytica	hypothetical protein	0.0072	0.4884	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0001	0.0002
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.1472	0.4746
Onchocerca volvulus	Cathepsin F homolog	0.0034	0.1472	0.3865
Schistosoma mansoni	ferritin light chain	0.0028	0.0892	0.1827
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.1905	0.6145
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0034	0.1472	0.4746
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.1472	0.4746
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0052	0.3064	0.6274
Schistosoma mansoni	hypothetical protein	0.0041	0.2053	0.4203
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0072	0.4884	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.1472	0.4746
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.1223	0.3946
Schistosoma mansoni	ferritin	0.0028	0.0892	0.1827
Brugia malayi	Cathepsin L-like precursor	0.0034	0.1472	0.3013
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.2053	0.4203
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.1223	0.3946
Giardia lamblia	GTOR	0.0052	0.31	0.5
Treponema pallidum	bacterioferrin (TpF1)	0.0028	0.0892	0.5
Loa Loa (eye worm)	hypothetical protein	0.0052	0.3064	0.8223
Schistosoma mansoni	apoferritin-2	0.0028	0.0892	0.1827
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.1196	0.3857
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.1472	0.3013
Schistosoma mansoni	ferritin	0.0028	0.0892	0.1827
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1894	0.5083
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.2146	0.6922
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0039	0.1894	0.4614
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.2146	0.6922
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.1472	0.4746
Onchocerca volvulus		0.0034	0.1472	0.3865
Onchocerca volvulus	Cathepsin L homolog	0.0034	0.1472	0.3865
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.1472	0.4746
Brugia malayi	Cathepsin L-like precursor	0.0034	0.1472	0.3013
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.3064	0.6274
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.011	0.0226
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0034	0.1472	0.3013
Brugia malayi	cathepsin L-like precursor	0.0023	0.0468	0.0959
Onchocerca volvulus		0.0052	0.3064	1
Entamoeba histolytica	hypothetical protein	0.0072	0.4884	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0052	0.3064	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0059	0.3726	0.763
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.1464	0.4723
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.3064	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0052	0.31	0.31
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0468	0.1255
Onchocerca volvulus		0.0034	0.1472	0.3865
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.011	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1894	0.5083
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.0028	0.0892	0.5
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0034	0.1472	0.3013
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0951	0.3068
Leishmania major	cathepsin L-like protease	0.0034	0.1472	0.1471
Leishmania major	cathepsin L-like protease	0.0034	0.1472	0.1471
Onchocerca volvulus		0.0034	0.1472	0.3865
Brugia malayi	AMP-binding enzyme family protein	0.0052	0.3064	0.6274
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.1472	0.4746
Entamoeba histolytica	hypothetical protein	0.0072	0.4884	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0052	0.31	0.6348
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0468	0.1255
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0018	0.0001	0.0001
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.1705	0.3745
Brugia malayi	hypothetical protein	0.0072	0.4884	1
Schistosoma mansoni	hypothetical protein	0.0019	0.011	0.0226
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0072	0.4884	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.31	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.2053	0.5508
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0018	0.0001	0.0001
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0052	0.3064	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.1472	0.4746
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0039	0.1905	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.1905	0.6145
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0052	0.3064	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0001	0.0002
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0042	0.215	0.2149
Onchocerca volvulus	Cathepsin L homolog	0.0034	0.1472	0.3865
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1894	0.5083
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.1472	0.4746
Leishmania major	cysteine peptidase A (CPA)	0.0034	0.1472	0.1471
Leishmania major	4-coumarate:coa ligase-like protein	0.0052	0.3064	0.3064
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0955	0.308
Brugia malayi	Cathepsin L-like precursor	0.0023	0.0468	0.0959
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.31	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.1905	0.6145
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0052	0.31	0.31
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.1472	0.4746
Onchocerca volvulus		0.0034	0.1472	0.3865
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0052	0.3064	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.011	0.0226
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.1472	0.4746
Loa Loa (eye worm)	cysteine protease	0.0034	0.1472	0.3948
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.1472	0.4746
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.1905	0.6145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.1196	0.3857
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.2146	0.6922
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.011	0.0226
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.1472	0.4746
Schistosoma mansoni	ferritin light chain	0.0028	0.0892	0.1827
Onchocerca volvulus		0.0034	0.1472	0.3865
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.1905	0.6145
Schistosoma mansoni	hypothetical protein	0.0019	0.011	0.0226
Onchocerca volvulus		0.0034	0.1472	0.3865
Brugia malayi	Cathepsin L-like precursor	0.0034	0.1472	0.3013
Schistosoma mansoni	cathepsin F (C01 family)	0.0034	0.1472	0.3013
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.1472	0.4746
Echinococcus multilocularis	GPCR, family 2	0.0019	0.011	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0052	0.3064	0.8223
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.1905	0.6145
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.1705	0.3745
Echinococcus granulosus	expressed protein	0.0028	0.0892	0.1827
Entamoeba histolytica	cysteine proteinase, putative	0.0023	0.0468	0.0959
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0034	0.1472	0.3013
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.3064	1
Brugia malayi	Cathepsin L-like precursor	0.0034	0.1472	0.3013
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0042	0.215	0.215
Trypanosoma cruzi	cysteine peptidase, putative	0.0034	0.1472	0.1472
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0059	0.3726	0.763
Echinococcus multilocularis	ferritin	0.0028	0.0892	0.1827
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0034	0.1472	0.4746
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0023	0.0468	0.151
Trypanosoma cruzi	major cysteine proteinase, putative	0.0102	0.7525	0.7525
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.011	0.0226
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.2418	0.78
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.1472	0.4746
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.1705	0.3745
Schistosoma mansoni	cathepsin F (C01 family)	0.0023	0.0468	0.0959
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0052	0.3064	0.6274
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0034	0.1472	0.7768
Leishmania major	4-coumarate:coa ligase-like protein	0.0052	0.3064	0.3064
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0052	0.31	0.31
Entamoeba histolytica	hypothetical protein	0.0072	0.4884	1
Plasmodium falciparum	acyl-CoA synthetase	0.0039	0.1894	1
Echinococcus granulosus	GPCR family 2	0.0019	0.011	0.0226
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0052	0.31	0.31
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.2146	0.6922
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0039	0.1894	0.5
Schistosoma mansoni	hypothetical protein	0.0072	0.4884	1
Echinococcus multilocularis	expressed protein	0.0028	0.0892	0.1827
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0034	0.1472	0.4746
Mycobacterium ulcerans	acyl-CoA synthetase	0.0052	0.3064	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.1472	0.4746
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1894	0.5083
Brugia malayi	Cathepsin L-like precursor	0.0034	0.1472	0.3013
Loa Loa (eye worm)	hypothetical protein	0.0059	0.3726	1
Echinococcus granulosus	cathepsin l1	0.0023	0.0468	0.0959
Brugia malayi	Cathepsin L-like precursor	0.0034	0.1472	0.3013
Leishmania major	cathepsin L-like protease	0.0034	0.1472	0.1471
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0052	0.3064	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0001	0.0002
Schistosoma mansoni	hypothetical protein	0.0019	0.011	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0468	0.1255
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.011	0.0226
Echinococcus multilocularis	cathepsin L cysteine protease	0.0034	0.1472	0.3013
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0052	0.31	0.31
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.1472	0.4746
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0052	0.31	0.6348
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0052	0.3064	1
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0018	0.0001	0.0001

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	= 15 microM	Cytotoxicity against human A549 cells after 72 hrs by SRB assay	ChEMBL.	20067289
GI50 (functional)	= 15 microM	Cytotoxicity against human HT-29 cells after 72 hrs by SRB assay	ChEMBL.	20067289
GI50 (functional)	> 17 microM	Cytotoxicity against human MDA-MB-231 cells after 72 hrs by SRB assay	ChEMBL.	20067289

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: CHEMBL572561

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1072812