TDR Targets

Basic information

Technical information

TDR Targets ID: 1281427
Name: propan-2-yl 2-(oxolane-2-carbonylamino)-4-(4- propan-2-ylphenyl)thiophene-3-carboxylate
MW: 401.519 | Formula: C22H27NO4S
H donors: 1 H acceptors: 2 LogP: 5.47 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CC(OC(=O)c1c(scc1c1ccc(cc1)C(C)C)NC(=O)C1CCCO1)C
InChi: 1S/C22H27NO4S/c1-13(2)15-7-9-16(10-8-15)17-12-28-21(19(17)22(25)27-14(3)4)23-20(24)18-6-5-11-26-18/h7-10,12-14,18H,5-6,11H2,1-4H3,(H,23,24)
InChiKey: IUVKQYFSGMKRFX-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

isopropyl 4-(4-isopropylphenyl)-2-(tetrahydrofuran-2-carbonylamino)thiophene-3-carboxylate
4-(4-isopropylphenyl)-2-[[oxo-(2-tetrahydrofuranyl)methyl]amino]-3-thiophenecarboxylic acid isopropyl ester
4-(4-isopropylphenyl)-2-(tetrahydrofuran-2-carbonylamino)thiophene-3-carboxylic acid isopropyl ester
propan-2-yl 2-(oxolan-2-ylcarbonylamino)-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate
MLS000544223
SMR000159696
isopropyl 4-(4-isopropylphenyl)-2-[(tetrahydro-2-furanylcarbonyl)amino]-3-thiophenecarboxylate
AK-968/40642527
IVK/9140755

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0029	0.0088	0.0036
Loa Loa (eye worm)	steroid hormone receptor	0.0062	0.0331	0.0339
Schistosoma mansoni	RAR-like nuclear receptor	0.0062	0.0331	0.0329
Brugia malayi	orphan nuclear receptor NR2E1	0.0029	0.0088	0.009
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0062	0.0331	0.0329
Brugia malayi	beta-lactamase	0.0037	0.0145	0.0149
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0062	0.0331	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0331	0.0339
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0112	0.0115
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0052	0.0479
Loa Loa (eye worm)	hypothetical protein	0.006	0.0317	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0145	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0286	0.1987	0.2037
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2101	1
Schistosoma mansoni	nuclear hormone receptor	0.0029	0.0088	0.0078
Onchocerca volvulus	Protein ultraspiracle homolog	0.0062	0.0331	0.0281
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0062	0.0331	0.0339
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0029	0.0088	0.009
Brugia malayi	Nuclear hormone receptor E75	0.0029	0.0088	0.009
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2101	1
Echinococcus multilocularis	hexokinase	0.1328	0.9714	1
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0147	0.096	0.589
Treponema pallidum	fructose-bisphosphate aldolase	0.0301	0.2101	0.2151
Onchocerca volvulus		0.0033	0.0112	0.0061
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0062	0.0331	0.0329
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0062	0.0331	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0114	0.0117
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0112	0.0115
Brugia malayi	hypothetical protein	0.0029	0.0088	0.009
Trichomonas vaginalis	esterase, putative	0.0037	0.0145	0.0629
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0052	0.0039
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0145	0.0138
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0029	0.0088	0.0078
Brugia malayi	Cytochrome P450 family protein	0.0059	0.0307	0.0315
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0014	0.0002
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.028	0.0276
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.028	0.0276
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0006	0.0006
Entamoeba histolytica	hexokinase 2	0.1328	0.9714	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0062	0.0331	0.0339
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0052	0.0282
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0145	0.1033
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0014	0.0009
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0112	0.0115
Loa Loa (eye worm)	DR-78	0.0029	0.0088	0.009
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.028	0.0276
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0088	0.009
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0052	0.0039
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0145	0.0861
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0014	0.0051
Echinococcus granulosus	hexokinase	0.1328	0.9714	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0114	0.0117
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0052	0.0039
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0062	0.0331	0.0329
Onchocerca volvulus		0.0833	0.6046	0.6026
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0088	0.009
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0088	0.009
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0062	0.0331	0.0329
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0029	0.0088	0.0078
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0062	0.0331	0.0329
Onchocerca volvulus		0.1328	0.9714	0.9713
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0062	0.0331	0.0339
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0145	0.0861
Loa Loa (eye worm)	hexokinase	0.1328	0.9714	0.9956
Brugia malayi	hypothetical protein	0.0286	0.1987	0.2037
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0112	0.0115
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.1334	0.9757	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0062	0.0331	0.0339
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0145	0.0861
Treponema pallidum	hexokinase (hxk)	0.1328	0.9714	1
Echinococcus granulosus	intermediate filament protein	0.0033	0.0112	0.0103
Schistosoma mansoni	retinoic acid receptor RXR	0.0062	0.0331	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0088	0.009
Toxoplasma gondii	ABC1 family protein	0.0037	0.0145	0.0135
Loa Loa (eye worm)	cytochrome P450 family protein	0.0059	0.0307	0.0315
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0145	0.1462
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0147	0.096	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0301	0.2101	0.2151
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0052	0.0479
Schistosoma mansoni	nuclear receptor	0.0029	0.0088	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0422	0.3	0.3075
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0145	0.0149
Entamoeba histolytica	hypothetical protein	0.0043	0.0193	0.0184
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0052	0.0053
Onchocerca volvulus		0.0033	0.0112	0.0061
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0052	0.0039
Schistosoma mansoni	nuclear hormone receptor	0.0062	0.0331	0.0329
Onchocerca volvulus	Hexokinase homolog	0.0833	0.6046	0.6026
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0006	0.0006
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0033	0.0114	0.0105
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0062	0.0331	0.0339
Brugia malayi	Nuclear hormone receptor-like 1	0.0033	0.0114	0.0117
Giardia lamblia	Fructose-bisphosphate aldolase	0.0301	0.2101	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0331	0.0339
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0014	0.0015
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0014	0.5
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0088	0.009
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0062	0.0331	0.0329
Echinococcus granulosus	ecdysone induced protein 78C	0.0062	0.0331	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0052	0.0053
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0012	0.0012
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0029	0.0088	0.0078
Echinococcus multilocularis	lamin dm0	0.0033	0.0112	0.0103
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0062	0.0331	0.0339
Brugia malayi	steroid hormone receptor	0.0062	0.0331	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0114	0.0117
Brugia malayi	Steroid receptor seven-up type 2	0.0062	0.0331	0.0339
Echinococcus multilocularis	geminin	0.0205	0.1387	0.1418
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0145	0.0861
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0033	0.0114	0.0117
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0052	0.0479
Schistosoma mansoni	survival motor neuron protein	0.0058	0.0302	0.0299
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0062	0.0331	0.0339
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0145	0.1033
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.1987	0.2036
Brugia malayi	nuclear receptor NHR-88	0.0029	0.0088	0.009
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.0302	0.031
Brugia malayi	ecdysteroid receptor	0.0062	0.0331	0.0339
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0145	0.0861
Echinococcus multilocularis	hexokinase type 2	0.1328	0.9714	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0145	0.0861
Brugia malayi	Hexokinase family protein	0.0411	0.2916	0.2989
Entamoeba histolytica	hypothetical protein	0.0043	0.0193	0.0184
Loa Loa (eye worm)	hexokinase	0.1328	0.9714	0.9956
Leishmania major	hexokinase, putative	0.1328	0.9714	1
Leishmania major	hypothetical protein, conserved	0.0037	0.0145	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0088	0.009
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.1987	0.2036
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0062	0.0331	0.0329
Echinococcus multilocularis	FTZ F1 alpha	0.0062	0.0331	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0088	0.009
Brugia malayi	hypothetical protein	0.0033	0.0114	0.0117
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.028	0.0276
Brugia malayi	hexokinase type II	0.0422	0.3	0.3075
Schistosoma mansoni	hypothetical protein	0.0041	0.0176	0.0169
Brugia malayi	ecdysone receptor	0.0029	0.0088	0.009
Loa Loa (eye worm)	hexokinase type II	0.1328	0.9714	0.9956
Brugia malayi	hypothetical protein	0.0029	0.0088	0.009
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0052	0.0039
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.028	0.0276
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2101	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0145	0.0138
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0062	0.0331	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0108	0.011
Echinococcus granulosus	hexokinase type 2	0.1328	0.9714	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0145	0.0861
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0052	0.0479
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0062	0.0331	0.0329
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0033	0.0114	0.0105
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0145	0.0149
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0145	0.0861
Schistosoma mansoni	hexokinase	0.1328	0.9714	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0014	0.0087
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0029	0.0088	0.0078
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0029	0.0088	0.009
Brugia malayi	nuclear hormone receptor family member odr-7	0.0029	0.0088	0.009
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0176	0.018
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0029	0.0088	0.0078
Schistosoma mansoni	hypothetical protein	0.0043	0.0193	0.0186
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0029	0.0088	0.0078
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0145	0.0629
Schistosoma mansoni	hypothetical protein	0.0205	0.1387	0.1418
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0052	0.0479
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0145	0.0149
Schistosoma mansoni	thyroid hormone receptor	0.0062	0.0331	0.0329
Schistosoma mansoni	hypothetical protein	0.0058	0.0302	0.0299
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0062	0.0331	0.0329
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0062	0.0331	0.0329
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0014	0.0015
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.028	0.0287
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0029	0.0088	0.0078
Brugia malayi	beta-lactamase family protein	0.0037	0.0145	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0422	0.3	0.3075
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0317	0.0325
Echinococcus granulosus	lamin	0.0033	0.0112	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0114	0.0117
Loa Loa (eye worm)	hexokinase	0.0833	0.6046	0.6197
Loa Loa (eye worm)	nuclear hormone receptor	0.0029	0.0088	0.009
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0331	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0331	0.0339
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0052	0.0053
Echinococcus granulosus	lamin dm0	0.0033	0.0112	0.0103
Echinococcus multilocularis	hexokinase	0.1328	0.9714	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0145	0.0629
Schistosoma mansoni	coup transcription factor	0.0062	0.0331	0.0329
Brugia malayi	Nuclear hormone receptor E75	0.0029	0.0088	0.009
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0147	0.096	1
Loa Loa (eye worm)	hexokinase	0.0411	0.2916	0.2989
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0029	0.0088	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0331	0.0339
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0029	0.0088	0.0036
Echinococcus granulosus	hexokinase	0.1328	0.9714	1
Brugia malayi	nuclear receptor NHR-88	0.0062	0.0331	0.0339
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0052	0.0039
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2101	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0052	0.0479
Schistosoma mansoni	nuclear receptor nhr-48	0.0029	0.0088	0.0078
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2101	1
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0112	0.0103
Onchocerca volvulus		0.0037	0.0145	0.0094
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0301	0.2101	0.2151
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0062	0.0331	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0088	0.009
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0006	0.0006
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0193	0.0186
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0014	0.0009
Toxoplasma gondii	hexokinase	0.1328	0.9714	1
Brugia malayi	conserved hypotetical protein	0.0029	0.0088	0.009
Onchocerca volvulus		0.0037	0.0145	0.0094
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0237	0.1626	1
Trypanosoma cruzi	hexokinase, putative	0.1328	0.9714	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0062	0.0331	0.0329
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0145	0.1462
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0033	0.0114	0.0105
Schistosoma mansoni	ap endonuclease	0.0019	0.0014	0.0002
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0062	0.0331	0.0329
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.028	0.0287
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0145	0.0138
Schistosoma mansoni	ap endonuclease	0.0019	0.0014	0.0002
Schistosoma mansoni	zinc finger protein	0.0029	0.0088	0.0078
Brugia malayi	hypothetical protein	0.0043	0.0193	0.0198
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.028	0.0276
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2101	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2101	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0029	0.0088	0.009
Echinococcus multilocularis	hexokinase	0.1328	0.9714	1
Trypanosoma brucei	hexokinase	0.1328	0.9714	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0176	0.018
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0145	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0088	0.009
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0331	0.0339
Echinococcus multilocularis	lamin	0.0033	0.0112	0.0103
Onchocerca volvulus		0.0058	0.0302	0.0252
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0062	0.0331	0.0339
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0145	0.0135
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0062	0.0331	0.0339
Trypanosoma brucei	hexokinase, putative	0.1328	0.9714	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0145	0.0629
Brugia malayi	intermediate filament protein	0.0033	0.0112	0.0115
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0012	0.0012
Schistosoma mansoni	nuclear hormone receptor	0.0029	0.0088	0.0078
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0062	0.0331	0.0329
Leishmania major	hexokinase, putative	0.1328	0.9714	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0062	0.0331	0.0329
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0062	0.0331	0.0339
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0145	0.0861
Onchocerca volvulus		0.1328	0.9714	0.9713
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0088	0.009
Onchocerca volvulus		0.0029	0.0088	0.0036
Brugia malayi	Nuclear hormone receptor-like 1	0.0062	0.0331	0.0339
Onchocerca volvulus		0.0037	0.0145	0.0094
Brugia malayi	nuclear hormone receptor	0.1334	0.9757	1
Echinococcus multilocularis	musashi	0.0033	0.0112	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0012	0.0012
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0052	0.0479
Brugia malayi	Nuclear hormone receptor-like 1	0.0033	0.0114	0.0117
Plasmodium falciparum	hexokinase	0.1328	0.9714	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0029	0.0088	0.0078
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0062	0.0331	0.0339
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0145	0.0135
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0052	0.0053
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0062	0.0331	0.0329
Schistosoma mansoni	lamin	0.0033	0.0112	0.0103
Echinococcus granulosus	thyroid hormone receptor alpha	0.0029	0.0088	0.0078
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0317	0.0325
Brugia malayi	photoreceptor-specific nuclear receptor	0.0062	0.0331	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0145	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0906	0.6585	0.6749
Schistosoma mansoni	nuclear receptor	0.0029	0.0088	0.0078
Schistosoma mansoni	lamin	0.0033	0.0112	0.0103
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0052	0.0282
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0145	0.1462
Echinococcus multilocularis	nuclear receptor nhr 48	0.0029	0.0088	0.0078
Echinococcus granulosus	hexokinase	0.1328	0.9714	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0145	0.0149
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0062	0.0331	0.0339
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0062	0.0331	0.0329
Echinococcus granulosus	geminin	0.0205	0.1387	0.1418
Brugia malayi	nuclear receptor NHR-67	0.0029	0.0088	0.009
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0029	0.0088	0.0078
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0062	0.0331	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0088	0.009
Brugia malayi	beta-lactamase family protein	0.0037	0.0145	0.0149
Schistosoma mansoni	thyroid hormone receptor	0.0062	0.0331	0.0329
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0062	0.0331	0.0329
Schistosoma mansoni	hypothetical protein	0.0205	0.1387	0.1418
Brugia malayi	nuclear receptor RXR	0.0029	0.0088	0.009
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0088	0.009
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0062	0.0331	0.0339
Brugia malayi	nuclear hormone receptor	0.0062	0.0331	0.0339
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0062	0.0331	0.0339
Plasmodium vivax	hexokinase, putative	0.1328	0.9714	1
Brugia malayi	tailless protein	0.0029	0.0088	0.009
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0006	0.0006
Brugia malayi	nuclear receptor RXR	0.0033	0.0114	0.0117
Echinococcus multilocularis	ecdysone induced protein 78C	0.0062	0.0331	0.0329
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0033	0.0114	0.0105
Loa Loa (eye worm)	hypothetical protein	0.1304	0.954	0.9777
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0062	0.0331	0.0339
Brugia malayi	Hexokinase family protein	0.0833	0.6046	0.6197
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0006	0.5
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0088	0.009
Onchocerca volvulus	Bile acid receptor homolog	0.0062	0.0331	0.0281
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0012	0.0012
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0062	0.0331	0.0339
Brugia malayi	Hexokinase family protein	0.1328	0.9714	0.9956
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0062	0.0331	0.0329
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0145	0.0149
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0014	0.0002
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0145	0.0629
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0145	0.1462
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0062	0.0331	0.0329
Mycobacterium ulcerans	lipase LipD	0.0037	0.0145	0.1462
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0145	0.0149
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0193	0.0186
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0145	0.0149
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0029	0.0088	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0052	0.0053
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0145	0.0629
Brugia malayi	hexokinase	0.1328	0.9714	0.9956
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0052	0.0053
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0145	0.0144
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.2101	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0317	0.0325
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0145	0.0861
Echinococcus granulosus	FTZ F1 alpha	0.0062	0.0331	0.0329
Brugia malayi	hypothetical protein	0.0033	0.0114	0.0117
Trypanosoma cruzi	hexokinase, putative	0.1328	0.9714	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0193	0.0184
Onchocerca volvulus		0.1328	0.9714	0.9713
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0114	0.0117
Entamoeba histolytica	hexokinase 1	0.1328	0.9714	1
Trypanosoma brucei	hexokinase	0.1328	0.9714	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0145	0.0138
Onchocerca volvulus		0.0062	0.0331	0.0281
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0193	0.0186
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0029	0.0088	0.0078
Entamoeba histolytica	hypothetical protein	0.0043	0.0193	0.0184
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.028	0.0276
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0052	0.0479
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0331	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0331	0.0339
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0062	0.0331	0.0339
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0029	0.0088	0.0078

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.4125 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 5.0119 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.0119 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)	5.6234 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	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)	= 17.7828 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.3564 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 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)	28.1838 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	63.0957 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 89.1251 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	100 uM	PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	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: CHEMBL1391087

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1281427