TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 403.906 | Formula: C20H26ClN5O2
H donors: 2 H acceptors: 3 LogP: 3.1 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(N)c(cc1C(=O)NCC1CCN(CC1)c1nc(C)cc(n1)C)Cl
InChi: 1S/C20H26ClN5O2/c1-12-8-13(2)25-20(24-12)26-6-4-14(5-7-26)11-23-19(27)15-9-16(21)17(22)10-18(15)28-3/h8-10,14H,4-7,11,22H2,1-3H3,(H,23,27)
InChiKey: SDYBCXRHDHYGFM-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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	latrophilin 2 splice variant baaae	0.0419	0.1628	0.6367
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0092	0.0284	0.2415
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0098	0.0646
Schistosoma mansoni	zinc finger protein	0.0031	0.0032	0.0117
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0026	0.0012	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0049	0.0147
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0026	0.0012	0.0042
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0035	0.0047	0.017
Loa Loa (eye worm)	hypothetical protein	0.0144	0.0496	0.1908
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0026	0.0012	0.0042
Mycobacterium tuberculosis	Probable lipase LipD	0.0219	0.0806	0.136
Loa Loa (eye worm)	PHD-finger family protein	0.0042	0.0077	0.0258
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0098	0.0646
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.00158528	0.5	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0127	0.0427	0.1542
Brugia malayi	ecdysteroid receptor	0.00158528	0.5	0.5
Brugia malayi	hypothetical protein	0.0052	0.0117	0.0417
Echinococcus multilocularis	transcription factor btf3	0.0106	0.0341	0.0341
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0219	0.0806	0.3131
Loa Loa (eye worm)	hypothetical protein	0.0219	0.0806	0.3131
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.00158528	0.5	0.5
Brugia malayi	beta-NAC-like protein	0.0106	0.0341	0.1297
Trichomonas vaginalis	penicillin-binding protein, putative	0.0219	0.0806	0.1808
Plasmodium vivax	SET domain protein, putative	0.0092	0.0284	0.3101
Echinococcus multilocularis	zinc finger protein	0.004	0.0068	0.0068
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0267	0.1003	0.3907
Trichomonas vaginalis	D-aminoacylase, putative	0.0219	0.0806	0.1808
Schistosoma mansoni	thyroid hormone receptor	0.00158528	0.5	0.5
Schistosoma mansoni	hypothetical protein	0.0194	0.0702	0.2538
Trichomonas vaginalis	glucosylceramidase, putative	0.0185	0.0664	0.1256
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0121	0.0404	0.146
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0194	0.0702	0.272
Mycobacterium leprae	Probable lipase LipE	0.0219	0.0806	1
Entamoeba histolytica	hypothetical protein	0.0111	0.0359	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.00158528	0.5	0.5
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0026	0.0012	0.0012
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0092	0.0284	0.1026
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.00158528	0.5	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.00158528	0.5	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.00158528	0.5	0.5
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0047	0.0098	0.0646
Mycobacterium ulcerans	hypothetical protein	0.0047	0.0098	0.0646
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0026	0.0012	0.0042
Schistosoma mansoni	RAR-like nuclear receptor	0.0026	0.0012	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0163	0.0576	0.2224
Mycobacterium tuberculosis	Conserved protein	0.0219	0.0806	0.136
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.00158528	0.5	0.5
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0026	0.0012	0.0042
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0098	0.0847
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0046	0.0093	0.0093
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.00158528	0.5	0.5
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0026	0.0012	0.0042
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0219	0.0806	0.0806
Toxoplasma gondii	ABC1 family protein	0.0219	0.0806	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0267	0.1003	0.2573
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.00158528	0.5	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0219	0.0806	0.1808
Leishmania major	hypothetical protein, conserved	0.0219	0.0806	1
Plasmodium vivax	hypothetical protein, conserved	0.0219	0.0806	1
Loa Loa (eye worm)	hypothetical protein	0.0613	0.2425	0.9509
Echinococcus multilocularis	ecdysone induced protein 78C	0.0026	0.0012	0.0012
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.0625	0.1105
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.00158528	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0098	0.034
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0026	0.0012	0.0042
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0047	0.0098	0.0101
Echinococcus granulosus	beta LACTamase domain containing family member	0.0219	0.0806	0.2916
Entamoeba histolytica	hypothetical protein	0.0106	0.0341	0.9297
Onchocerca volvulus	Bile acid receptor homolog	0.00158528	0.5	0.5
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0047	0.0098	0.0646
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0194	0.0702	0.0702
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0613	0.2425	0.9509
Echinococcus multilocularis	FTZ F1 alpha	0.00158528	0.5	0.5
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.00158528	0.5	0.5
Schistosoma mansoni	coup transcription factor	0.0026	0.0012	0.0042
Echinococcus granulosus	transcription factor btf3	0.0106	0.0341	0.1233
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.00158528	0.5	0.5
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.00158528	0.5	0.5
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0163	0.0576	0.2083
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0035	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0194	0.0702	0.272
Leishmania major	basic transcription factor 3a, putative	0.0106	0.0341	0.3986
Mycobacterium tuberculosis	Probable lipase LipE	0.0219	0.0806	0.136
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0047	0.0098	0.0646
Onchocerca volvulus		0.0732	0.2915	1
Schistosoma mansoni	thyroid hormone receptor	0.0026	0.0012	0.0042
Plasmodium vivax	basic transcription factor 3b, putative	0.0106	0.0341	0.3854
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.00158528	0.5	0.5
Schistosoma mansoni	hypothetical protein	0.0696	0.2766	1
Brugia malayi	steroid hormone receptor	0.00158528	0.5	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0194	0.0702	0.2538
Brugia malayi	Steroid receptor seven-up type 2	0.00158528	0.5	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0267	0.1003	0.2573
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0427	0.1635
Echinococcus multilocularis	FTZ F1 alpha	0.0026	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.00158528	0.5	0.5
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0026	0.0012	0.0012
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0194	0.0702	0.272
Trichomonas vaginalis	glucosylceramidase, putative	0.0267	0.1003	0.2573
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0098	0.0847
Echinococcus multilocularis	geminin	0.0696	0.2766	0.2766
Echinococcus granulosus	FTZ F1 alpha	0.00158528	0.5	0.5
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0026	0.0012	0.0042
Trypanosoma cruzi	transcription factor btf3, putative	0.0106	0.0341	0.3986
Schistosoma mansoni	coup transcription factor	0.00158528	0.5	0.5
Mycobacterium ulcerans	beta-lactamase	0.0219	0.0806	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.00158528	0.5	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0138	0.0472	0.1706
Echinococcus granulosus	fetal alzheimer antigen falz	0.0046	0.0093	0.0336
Trichomonas vaginalis	glucosylceramidase, putative	0.0267	0.1003	0.2573
Schistosoma mansoni	transcription factor LCR-F1	0.0111	0.0359	0.1299
Echinococcus granulosus	FTZ F1 alpha	0.0026	0.0012	0.0042
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.00158528	0.5	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0098	0.0847
Plasmodium vivax	ataxin-2 like protein, putative	0.0052	0.0117	0.0904
Loa Loa (eye worm)	hypothetical protein	0.00158528	0.5	0.5
Schistosoma mansoni	hypothetical protein	0.0031	0.0032	0.0117
Brugia malayi	Latrophilin receptor protein 2	0.0194	0.0702	0.272
Schistosoma mansoni	thyroid hormone receptor	0.0026	0.0012	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0049	0.0147
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0138	0.0472	0.1706
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0225	0.0842
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0026	0.0012	0.0012
Trichomonas vaginalis	esterase, putative	0.0219	0.0806	0.1808
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.00158528	0.5	0.5
Schistosoma mansoni	hypothetical protein	0.0194	0.0702	0.2538
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0035	0.0049	0.5
Brugia malayi	beta-lactamase family protein	0.0219	0.0806	0.3131
Brugia malayi	Bromodomain containing protein	0.0153	0.0532	0.2049
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.00158528	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.00158528	0.5	0.5
Echinococcus multilocularis	GPCR, family 2	0.0194	0.0702	0.0702
Mycobacterium ulcerans	lipase LipD	0.0219	0.0806	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0026	0.0012	0.0042
Schistosoma mansoni	thyroid hormone receptor	0.00158528	0.5	0.5
Echinococcus multilocularis	thyroid hormone receptor alpha	0.00158528	0.5	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.00158528	0.5	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0111	0.0359	0.0359
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0245	0.092
Trichomonas vaginalis	glucosylceramidase, putative	0.0267	0.1003	0.2573
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0644	0.255	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0219	0.0806	0.2916
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.0625	0.1105
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.0117	0.2345
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.0117	0.1099
Schistosoma mansoni	bromodomain containing protein	0.0129	0.0434	0.1568
Schistosoma mansoni	hypothetical protein	0.0194	0.0702	0.2538
Loa Loa (eye worm)	hypothetical protein	0.0219	0.0806	0.3131
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0127	0.0427	0.0427
Entamoeba histolytica	hypothetical protein	0.0111	0.0359	1
Brugia malayi	Bromodomain containing protein	0.0078	0.0225	0.084
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.00158528	0.5	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0026	0.0012	0.0042
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0219	0.0806	0.136
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0219	0.0806	0.2916
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0026	0.0012	0.0042
Trypanosoma brucei	transcription factor BTF3, putative	0.0106	0.0341	0.3986
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.00158528	0.5	0.5
Entamoeba histolytica	transcription factor BTF3, putative	0.0106	0.0341	0.9297
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.0625	0.1105
Loa Loa (eye worm)	beta-lactamase	0.0219	0.0806	0.3131
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.0117	0.1099
Trypanosoma cruzi	hypothetical protein, conserved	0.0219	0.0806	1
Loa Loa (eye worm)	steroid hormone receptor	0.00158528	0.5	0.5
Brugia malayi	PHD-finger family protein	0.0051	0.0113	0.0399
Toxoplasma gondii	NAC domain-containing protein	0.0106	0.0341	0.3243
Loa Loa (eye worm)	hypothetical protein	0.0219	0.0806	0.3131
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0098	0.034
Trichomonas vaginalis	penicillin-binding protein, putative	0.0219	0.0806	0.1808
Schistosoma mansoni	zinc finger protein	0.004	0.0068	0.0246
Brugia malayi	beta-lactamase family protein	0.0219	0.0806	0.3131
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.00158528	0.5	0.5
Mycobacterium ulcerans	esterase/lipase LipP	0.0219	0.0806	1
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0098	0.034
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0098	0.0646
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0127	0.0427	0.1542
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.00158528	0.5	0.5
Echinococcus multilocularis	phosphatidylinositol 5 phosphate 4 kinase type 2	0.0163	0.0576	0.0576
Brugia malayi	beta-lactamase	0.0219	0.0806	0.3131
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0267	0.1003	0.3907
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0098	0.034
Brugia malayi	Nuclear hormone receptor-like 1	0.00158528	0.5	0.5
Echinococcus multilocularis	ecdysone induced protein 78C	0.00158528	0.5	0.5
Echinococcus granulosus	zinc finger protein	0.004	0.0068	0.0246
Echinococcus granulosus	histone lysine methyltransferase setb	0.0127	0.0427	0.1542
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0026	0.0012	0.0012
Schistosoma mansoni	hypothetical protein	0.0042	0.0077	0.0278
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0049	0.0147
Onchocerca volvulus	Glucosylceramidase homolog	0.0175	0.0625	0.2114
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.00158528	0.5	0.5
Loa Loa (eye worm)	pip kinase 2	0.0163	0.0576	0.2224
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0117	0.0417
Brugia malayi	Pre-SET motif family protein	0.0644	0.255	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0194	0.0702	0.0702
Onchocerca volvulus		0.0047	0.0098	0.0297
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.0625	0.1105
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0613	0.2425	0.9509
Schistosoma mansoni	hypothetical protein	0.0194	0.0702	0.2538
Onchocerca volvulus		0.0163	0.0576	0.1944
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0035	0.0047	0.017
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0219	0.0806	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.0625	0.1105
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0035	0.0049	0.0014
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0219	0.0806	0.3131
Loa Loa (eye worm)	bromodomain containing protein	0.0036	0.0052	0.016
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.0163	0.0576	0.2083
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.00158528	0.5	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0092	0.0284	0.1026
Trichomonas vaginalis	set domain proteins, putative	0.0732	0.2915	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0089	0.027	0.0976
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0073	0.0205	0.0205
Trichomonas vaginalis	D-aminoacylase, putative	0.0219	0.0806	0.1808
Schistosoma mansoni	hypothetical protein	0.0111	0.0359	0.1299
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0098	0.034
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0049	0.0147
Echinococcus granulosus	geminin	0.0696	0.2766	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0111	0.0359	0.1299
Mycobacterium tuberculosis	Probable hydrolase	0.0219	0.0806	0.136
Brugia malayi	Pre-SET motif family protein	0.0092	0.0284	0.1073
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0219	0.0806	0.136
Mycobacterium tuberculosis	Conserved protein	0.0219	0.0806	0.136
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.0117	0.2345
Brugia malayi	hypothetical protein	0.0111	0.0359	0.137
Brugia malayi	Pip kinase protein 2	0.0163	0.0576	0.2224
Loa Loa (eye worm)	hypothetical protein	0.00158528	0.5	0.5
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0092	0.0284	0.0284
Loa Loa (eye worm)	hypothetical protein	0.00158528	0.5	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0138	0.0472	0.1813
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0121	0.0404	0.0404
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0026	0.0012	0.0042
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0138	0.0472	0.1706
Onchocerca volvulus		0.00158528	0.5	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.00158528	0.5	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.00158528	0.5	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.00158528	0.5	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0026	0.0012	0.0042
Loa Loa (eye worm)	ICD-1 protein	0.0106	0.0341	0.1297
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.1402	0.5667	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.0625	0.1105
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0219	0.0806	0.136
Brugia malayi	nuclear receptor NHR-88	0.00158528	0.5	0.5
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0026	0.0012	0.0042
Trypanosoma cruzi	transcription factor btf3, putative	0.0106	0.0341	0.3986
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.00158528	0.5	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0026	0.0012	0.0012
Echinococcus granulosus	ecdysone induced protein 78C	0.00158528	0.5	0.5
Brugia malayi	photoreceptor-specific nuclear receptor	0.00158528	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0219	0.0806	0.3131
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.00158528	0.5	0.5
Schistosoma mansoni	RAR-like nuclear receptor	0.00158528	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0219	0.0806	0.3131
Trypanosoma brucei	PAB1-binding protein , putative	0.0052	0.0117	0.1099
Loa Loa (eye worm)	hypothetical protein	0.0219	0.0806	0.3131
Trypanosoma brucei	hypothetical protein, conserved	0.0219	0.0806	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0194	0.0702	0.2538
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0026	0.0012	0.0012
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0073	0.0205	0.0741
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0047	0.0098	0.0101
Brugia malayi	hypothetical protein	0.0033	0.0042	0.012
Schistosoma mansoni	hypothetical protein	0.0419	0.1628	0.5885
Plasmodium falciparum	basic transcription factor 3b, putative	0.0106	0.0341	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0185	0.0664	0.1256
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.00158528	0.5	0.5
Schistosoma mansoni	steroid hormone receptor ad4bp	0.00158528	0.5	0.5
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.00158528	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0261	0.0983
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.00158528	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.00158528	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0049	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0419	0.1628	0.6367
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0026	0.0012	0.0012
Onchocerca volvulus		0.0219	0.0806	0.2737
Schistosoma mansoni	nuclear hormone receptor	0.00158528	0.5	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0138	0.0472	0.1706
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0026	0.0012	0.0042
Schistosoma mansoni	retinoic acid receptor RXR	0.00158528	0.5	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.00158528	0.5	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0613	0.2425	0.9509
Onchocerca volvulus		0.0092	0.0284	0.0938
Entamoeba histolytica	hypothetical protein	0.0111	0.0359	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.00158528	0.5	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0026	0.0012	0.0042
Schistosoma mansoni	transcription factor btf3	0.0106	0.0341	0.1233
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0046	0.0093	0.0336
Loa Loa (eye worm)	hypothetical protein	0.00158528	0.5	0.5
Echinococcus granulosus	phosphatidylinositol 5 phosphate 4 kinase type 2	0.0163	0.0576	0.2083
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0138	0.0472	0.0472
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.00158528	0.5	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0219	0.0806	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.00158528	0.5	0.5
Onchocerca volvulus		0.0219	0.0806	0.2737
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.00158528	0.5	0.5
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0035	0.0047	0.017
Echinococcus granulosus	GPCR family 2	0.0194	0.0702	0.2538
Echinococcus granulosus	ecdysone induced protein 78C	0.0026	0.0012	0.0042
Mycobacterium ulcerans	hypothetical protein	0.0219	0.0806	1
Entamoeba histolytica	hypothetical protein	0.0111	0.0359	1
Onchocerca volvulus		0.0219	0.0806	0.2737
Onchocerca volvulus	Protein ultraspiracle homolog	0.00158528	0.5	0.5
Brugia malayi	nuclear hormone receptor	0.00158528	0.5	0.5
Schistosoma mansoni	hypothetical protein	0.0696	0.2766	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0267	0.1003	0.2573
Leishmania major	hypothetical protein, conserved	0.0052	0.0117	0.1099
Trypanosoma cruzi	hypothetical protein, conserved	0.0219	0.0806	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.00158528	0.5	0.5
Mycobacterium tuberculosis	Probable esterase LipL	0.0219	0.0806	0.136
Mycobacterium tuberculosis	Conserved protein	0.0219	0.0806	0.136
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0138	0.0472	0.1813
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0138	0.0472	0.1706
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.00158528	0.5	0.5
Loa Loa (eye worm)	hypothetical protein	0.00158528	0.5	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0175	0.0625	0.1105
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0047	0.0098	0.0646
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0098	0.034
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0138	0.0472	0.0472

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		NOVARTIS: Antimalarial liver stage activity measured as a greater than 50% reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells at 10uM compound concentration, determined by immuno-fluorescence.	ChEMBL.	22096101
CC50 (functional)	= 64.88 uM	Huh7 cytotoxicity for Pf inhibitors	Novartis-GNF Malaria Box.	No reference
CC50	= 64.88 uM	NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7)	ChEMBL.	18579783
EC50 (functional)	= 0.345 uM	PF proliferation inhibition 3D7	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	= 0.345 uM	NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay	ChEMBL.	18579783
EC50 (functional)	= 0.531 uM	W2 Pf proliferation inhibition	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	= 0.531 uM	NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay	ChEMBL.	18579783
IFI promiscuity index	= 0	IFI promiscuity index	Novartis-GNF Malaria Box.	No reference
Inhibition (functional)	= -0.76 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 0 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 0.61 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 1.37 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 4 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 95 %	GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 96 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition frequency index (IFI) (functional)	= 2.33	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= -6 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 4 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 95 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 96 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.29	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.50871 uM	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth.	ChEMBL.	20485427

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	18579783

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: CHEMBL546693
Search by GSK
Search by Novartis-GNF Malaria Box

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 599175