TDR Targets

Basic information

Technical information

TDR Targets ID: 1206895
Name: N-[2-[[2-(tert-butylamino)-2-oxo-1-(4-propan- 2-ylphenyl)ethyl]-pyridin-3-ylamino]-2-oxoeth yl]furan-2-carboxamide
MW: 476.567 | Formula: C27H32N4O4
H donors: 2 H acceptors: 4 LogP: 3.77 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(N(c1cccnc1)C(=O)CNC(=O)c1ccco1)c1ccc(cc1)C(C)C)NC(C)(C)C
InChi: 1S/C27H32N4O4/c1-18(2)19-10-12-20(13-11-19)24(26(34)30-27(3,4)5)31(21-8-6-14-28-16-21)23(32)17-29-25(33)22-9-7-15-35-22/h6-16,18,24H,17H2,1-5H3,(H,29,33)(H,30,34)
InChiKey: MGQIVAGZFAAEOK-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

N-[2-[[2-(tert-butylamino)-1-(4-isopropylphenyl)-2-oxo-ethyl]-(3-pyridyl)amino]-2-oxo-ethyl]furan-2-carboxamide
N-[2-[[2-(tert-butylamino)-1-(4-isopropylphenyl)-2-oxoethyl]-(3-pyridyl)amino]-2-oxoethyl]-2-furancarboxamide
N-[2-[[2-(tert-butylamino)-1-(4-isopropylphenyl)-2-keto-ethyl]-(3-pyridyl)amino]-2-keto-ethyl]-2-furamide
N-[2-[[2-(tert-butylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-pyridin-3-yl-amino]-2-oxo-ethyl]furan-2-carboxamide
SMR000118793
ASN 05990126
Furan-2-carboxylic acid ({[tert-butylcarbamoyl-(4-isopropyl-phenyl)-methyl]-pyridin-3-yl-carbamoyl}-methyl)-amide
MLS000121398

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references

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
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0036	0.0156
Loa Loa (eye worm)	hypothetical protein	0.02	0.2152	0.928
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0052	0.0338	0.035
Brugia malayi	CHE-14 protein	0.0085	0.0747	0.3221
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0037	0.0153	0.3576
Brugia malayi	hypothetical protein	0.0025	0.0004	0.0016
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0063	0.0475	0.0475
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0421	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0052	0.0338	0.0338
Echinococcus granulosus	polycomb protein SCMH1	0.0046	0.0266	0.0275
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.0153	0.0297
Schistosoma mansoni	hypothetical protein	0.0137	0.1376	0.3399
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0266	0.1146
Schistosoma mansoni	retinoic acid receptor RXR	0.0052	0.0338	0.0835
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0338	0.1458
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0214	0.232	0.573
Schistosoma mansoni	hypothetical protein	0.0063	0.0475	0.1172
Brugia malayi	mbt repeat family protein	0.0046	0.0266	0.1146
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0135	0.0124
Brugia malayi	photoreceptor-specific nuclear receptor	0.0052	0.0338	0.1458
Echinococcus multilocularis	expressed conserved protein	0.0187	0.1994	0.1994
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0182	0.1935	0.2002
Brugia malayi	Nuclear hormone receptor-like 1	0.0028	0.0036	0.0156
Echinococcus multilocularis	sterol regulatory element binding protein	0.0085	0.0747	0.0747
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0421	0.1039
Echinococcus granulosus	Niemann Pick C1 protein	0.0285	0.3192	0.3301
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0052	0.0338	0.1458
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0136	0.1365	0.5886
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0199	0.2143	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0073	0.0591	0.0591
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0052	0.0338	0.1458
Echinococcus multilocularis	Niemann Pick C1 protein	0.0285	0.3192	0.3192
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0135	0.058
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0135	0.058
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0135	0.0135
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0052	0.0338	0.1458
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0004	0.5
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0421	0.1039
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0052	0.0338	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0338	0.1458
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0136	0.1365	0.1365
Loa Loa (eye worm)	MBCTL1	0.0053	0.0344	0.1485
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0052	0.0338	0.1458
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0338	0.1458
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0052	0.0338	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0136	0.1365	0.1365
Loa Loa (eye worm)	mbt repeat family protein	0.0046	0.0266	0.1146
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0052	0.0338	0.1458
Brugia malayi	nuclear receptor RXR	0.0028	0.0036	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0983	0.4239
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0153	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0135	0.0333
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0135	0.058
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0053	0.0344	0.0356
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0135	0.0124
Onchocerca volvulus		0.0052	0.0338	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0136	0.1365	0.1412
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0135	0.058
Schistosoma mansoni	patched 1	0.0085	0.0747	0.1846
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0052	0.0338	0.1458
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0421	1
Echinococcus granulosus	expressed conserved protein	0.0187	0.1994	0.2063
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0052	0.0338	0.1458
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0052	0.0338	0.0338
Schistosoma mansoni	RAR-like nuclear receptor	0.0052	0.0338	0.0835
Brugia malayi	hypothetical protein	0.0073	0.0591	0.255
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0063	0.0475	0.2046
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0421	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0199	0.2143	0.2216
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0153	0.0378
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0052	0.0338	0.1458
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0073	0.0591	0.0612
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0037	0.0153	0.5
Echinococcus granulosus	Protein patched homolog 1	0.0085	0.0747	0.0773
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0053	0.0344	0.0344
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0052	0.0338	0.0835
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0052	0.0338	0.035
Echinococcus granulosus	sterol regulatory element binding protein	0.0085	0.0747	0.0773
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0135	0.0139
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0052	0.0338	0.1458
Onchocerca volvulus		0.0036	0.0135	0.3982
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0214	0.232	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0004	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0063	0.0475	0.0491
Echinococcus granulosus	GPCR family 2	0.0063	0.0475	0.0491
Schistosoma mansoni	nuclear hormone receptor	0.0052	0.0338	0.0835
Echinococcus granulosus	geminin	0.0354	0.4048	0.4187
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0052	0.0338	0.0835
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0028	0.0036	0.0156
Echinococcus multilocularis	ecdysone induced protein 78C	0.0052	0.0338	0.0338
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0153	0.0297
Loa Loa (eye worm)	inositol-1	0.0037	0.0153	0.0659
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0153	0.0378
Schistosoma mansoni	hypothetical protein	0.0281	0.3149	0.7779
Schistosoma mansoni	hypothetical protein	0.0063	0.0475	0.1172
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.0153	0.0153
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.1365	0.3372
Echinococcus multilocularis	Niemann Pick C1 protein	0.0199	0.2143	0.2143
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0052	0.0338	0.1458
Schistosoma mansoni	hypothetical protein	0.0063	0.0475	0.1172
Loa Loa (eye worm)	hypothetical protein	0.0137	0.1376	0.5932
Schistosoma mansoni	sex comb on midleg homolog	0.0046	0.0266	0.0656
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0136	0.1365	0.5886
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0135	0.8781
Schistosoma mansoni	coup transcription factor	0.0052	0.0338	0.0835
Echinococcus multilocularis	FTZ F1 alpha	0.0214	0.232	0.232
Onchocerca volvulus	Protein ultraspiracle homolog	0.0052	0.0338	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0052	0.0338	0.1458
Onchocerca volvulus		0.0046	0.0266	0.7859
Schistosoma mansoni	hypothetical protein	0.0082	0.0709	0.1752
Toxoplasma gondii	ABC1 family protein	0.0036	0.0135	0.314
Schistosoma mansoni	hypothetical protein	0.0073	0.0591	0.1461
Schistosoma mansoni	thyroid hormone receptor	0.0052	0.0338	0.0835
Trichomonas vaginalis	conserved hypothetical protein	0.0085	0.0747	1
Echinococcus multilocularis	protein dispatched 1	0.0098	0.0895	0.0895
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0028	0.0036	0.0089
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0135	0.0124
Echinococcus multilocularis	polycomb protein SCMH1	0.0046	0.0266	0.0266
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0063	0.0475	0.2046
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0135	0.058
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0052	0.0338	0.0835
Schistosoma mansoni	hypothetical protein	0.0082	0.0709	0.1752
Schistosoma mansoni	sex comb on midleg homolog	0.0046	0.0266	0.0656
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0135	0.0333
Brugia malayi	beta-lactamase	0.0036	0.0135	0.058
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0135	0.0124
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0135	0.8781
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0052	0.0338	0.035
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.1365	0.3372
Brugia malayi	Inositol-1	0.0037	0.0153	0.0659
Onchocerca volvulus		0.0036	0.0135	0.3982
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0135	0.0124
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0052	0.0338	0.1458
Loa Loa (eye worm)	hypothetical protein	0.0214	0.232	1
Loa Loa (eye worm)	hypothetical protein	0.0199	0.2143	0.9238
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0182	0.1935	0.1935
Schistosoma mansoni	transcription factor LCR-F1	0.0073	0.0591	0.1461
Schistosoma mansoni	hypothetical protein	0.0354	0.4048	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.0421	0.1325
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0135	0.8781
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0052	0.0338	0.035
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0004	0.0016
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0052	0.0338	0.0835
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0421	0.0421
Brugia malayi	Niemann-Pick C1 protein precursor	0.0199	0.2143	0.9238
Brugia malayi	mbt repeat family protein	0.0046	0.0266	0.1146
Onchocerca volvulus		0.0036	0.0135	0.3982
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0052	0.0338	0.0338
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.02	0.2152	0.928
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0135	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0338	0.1458
Leishmania major	hypothetical protein, conserved	0.0036	0.0135	0.314
Loa Loa (eye worm)	steroid hormone receptor	0.0052	0.0338	0.1458
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0053	0.0344	0.0344
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.0153	0.0158
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0028	0.0036	0.0037
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0052	0.0338	0.035
Echinococcus granulosus	histone acetyltransferase MYST2	0.0053	0.0344	0.0356
Onchocerca volvulus	Bile acid receptor homolog	0.0052	0.0338	1
Brugia malayi	hypothetical protein	0.0028	0.0036	0.0156
Echinococcus granulosus	FTZ F1 alpha	0.0812	0.9668	1
Echinococcus granulosus	SAM and MBT domain containing protein	0.0046	0.0266	0.0275
Brugia malayi	Nuclear hormone receptor-like 1	0.0052	0.0338	0.1458
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0135	0.058
Brugia malayi	ecdysteroid receptor	0.0052	0.0338	0.1458
Echinococcus multilocularis	geminin	0.0354	0.4048	0.4048
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0052	0.0338	0.1458
Schistosoma mansoni	hypothetical protein	0.0082	0.0709	0.1752
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0135	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0344	0.1485
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0421	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0136	0.1365	0.3372
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0214	0.232	0.2399
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0227	0.2488	1
Brugia malayi	nuclear hormone receptor	0.0052	0.0338	0.1458
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0135	1
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0135	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0052	0.0338	0.1458
Entamoeba histolytica	hypothetical protein	0.0073	0.0591	0.2204
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0421	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0135	0.058
Brugia malayi	nuclear receptor NHR-88	0.0052	0.0338	0.1458
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0135	0.0124
Schistosoma mansoni	hypothetical protein	0.0082	0.0709	0.1752
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0338	0.1458
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0028	0.0036	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0338	0.1458
Brugia malayi	Calcitonin receptor-like protein seb-1	0.02	0.2152	0.928
Schistosoma mansoni	hypothetical protein	0.0354	0.4048	1
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0046	0.0266	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0036	0.0156
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0135	0.0124
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0052	0.0338	0.1458
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0046	0.0266	0.0656
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0036	0.0156
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0214	0.232	0.232
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0036	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0747	0.3221
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0421	0.0435
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0028	0.0036	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0135	0.058
Echinococcus multilocularis	protein patched	0.0085	0.0747	0.0747
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0052	0.0338	0.1458
Echinococcus granulosus	ecdysone induced protein 78C	0.0052	0.0338	0.035
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0037	0.0153	0.0636
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0052	0.0338	0.1458
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0052	0.0338	0.0338
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0046	0.0266	0.7859
Echinococcus multilocularis	GPCR, family 2	0.0063	0.0475	0.0475
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0136	0.1365	0.1412
Entamoeba histolytica	hypothetical protein	0.0073	0.0591	0.2204
Brugia malayi	hypothetical protein	0.0028	0.0036	0.0156
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0153	1
Brugia malayi	Steroid receptor seven-up type 2	0.0052	0.0338	0.1458
Schistosoma mansoni	hypothetical protein	0.0161	0.1679	0.4148
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0053	0.0344	0.0851
Brugia malayi	Nuclear hormone receptor-like 1	0.0028	0.0036	0.0156
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0135	0.0124
Schistosoma mansoni	thyroid hormone receptor	0.0052	0.0338	0.0835
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0052	0.0338	0.0338
Entamoeba histolytica	hypothetical protein	0.0073	0.0591	0.2204
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0063	0.0475	0.0491
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0052	0.0338	0.0835
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.02	0.2152	0.928
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0153	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0036	0.0156
Brugia malayi	beta-lactamase family protein	0.0036	0.0135	0.058
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0052	0.0338	0.035
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0063	0.0475	0.0475
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0052	0.0338	0.1458
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0475	0.2046
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0053	0.0344	0.1485
Brugia malayi	Latrophilin receptor protein 2	0.0063	0.0475	0.2046
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0338	0.1458
Brugia malayi	latrophilin 2 splice variant baaae	0.0137	0.1376	0.5932
Brugia malayi	steroid hormone receptor	0.0052	0.0338	0.1458
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0153	0.3576
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0052	0.0338	0.0835
Entamoeba histolytica	hypothetical protein	0.0073	0.0591	0.2204
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0085	0.0747	0.3221
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0135	0.058
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0135	0.058
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0214	0.232	1
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0202	0.2181	0.5386
Schistosoma mansoni	hypothetical protein	0.0063	0.0475	0.1172
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0135	0.0124
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0153	0.0297

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.6169 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 5.0119 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	112.2018 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1301764

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1206895