TDR Targets

Basic information

Technical information

TDR Targets ID: 26739
Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[methyl(tetra decyl)sulfamoyl]urea
MW: 509.788 | Formula: C28H51N3O3S
H donors: 2 H acceptors: 3 LogP: 9.88 Rotable bonds: 20
Rule of 5 violations (Lipinski): 2
SMILES: CCCCCCCCCCCCCCN(S(=O)(=O)NC(=O)Nc1c(cccc1C(C)C)C(C)C)C
InChi: 1S/C28H51N3O3S/c1-7-8-9-10-11-12-13-14-15-16-17-18-22-31(6)35(33,34)30-28(32)29-27-25(23(2)3)20-19-21-26(27)24(4)5/h19-21,23-24H,7-18,22H2,1-6H3,(H2,29,30,32)
InChiKey: IHEUWNAVTSIKOZ-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

1-(2,6-diisopropylphenyl)-3-[methyl(tetradecyl)sulfamoyl]urea
1-(2,6-diisopropylphenyl)-3-[methyl(myristyl)sulfamoyl]urea
3-[2,6-di(propan-2-yl)phenyl]-1-(methyl-tetradecylsulfamoyl)urea
3-(2,6-diisopropylphenyl)-1-(methyl-tetradecyl-sulfamoyl)urea
3-(2,6-diisopropylphenyl)-1-(methyl-tetradecylsulfamoyl)urea
3-(2,6-diisopropylphenyl)-1-(methyl-myristyl-sulfamoyl)urea
3-[2,6-di(propan-2-yl)phenyl]-1-(methyl-tetradecyl-sulfamoyl)urea

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Acyl coenzyme A:cholesterol acyltransferase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	sterol O-acyltransferase 1	Get druggable targets OG5_133487	All targets in OG5_133487
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133487	All targets in OG5_133487
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133487	All targets in OG5_133487
Echinococcus multilocularis	sterol O acyltransferase 1	Get druggable targets OG5_133487	All targets in OG5_133487
Echinococcus granulosus	sterol O acyltransferase 1	Get druggable targets OG5_133487	All targets in OG5_133487
Schistosoma japonicum	ko:K00637 sterol O-acyltransferase [EC2.3.1.26], putative	Get druggable targets OG5_133487	All targets in OG5_133487

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Neospora caninum	sterol O-acyltransferase, putative	Acyl coenzyme A:cholesterol acyltransferase 1	545 aa	510 aa	21.2 %
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	Acyl coenzyme A:cholesterol acyltransferase 1	545 aa	510 aa	24.1 %
Dictyostelium discoideum	diacylglycerol O-acyltransferase 1	Acyl coenzyme A:cholesterol acyltransferase 1	545 aa	547 aa	22.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	microneme protein MIC17A	0.0131	0.0006	0.0014
Toxoplasma gondii	kringle domain-containing protein	0.1306	0.2496	0.6198
Brugia malayi	Cation transporter family protein	0.0324	0.0416	0.0424
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0324	0.0416	0.1667
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0324	0.0416	0.0424
Schistosoma mansoni	hypothetical protein	0.0584	0.0967	0.0967
Loa Loa (eye worm)	hypothetical protein	0.0324	0.0416	0.0424
Brugia malayi	PAN domain containing protein	0.0131	0.0006	0.0006
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0324	0.0416	0.0416
Loa Loa (eye worm)	trypsin family protein	0.0584	0.0967	0.0984
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0584	0.0967	0.0967
Brugia malayi	Protein kinase domain containing protein	0.1306	0.2496	0.2542
Loa Loa (eye worm)	hypothetical protein	0.015	0.0046	0.0047
Loa Loa (eye worm)	hypothetical protein	0.015	0.0046	0.0047
Brugia malayi	PAN domain containing protein	0.0131	0.0006	0.0006
Onchocerca volvulus		0.0349	0.0468	0.0476
Schistosoma mansoni	hypothetical protein	0.027	0.0301	0.0301
Echinococcus granulosus	nAChR subunit	0.0324	0.0416	0.1667
Loa Loa (eye worm)	TK/ROR protein kinase	0.1306	0.2496	0.2542
Onchocerca volvulus		0.0131	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.015	0.0046	0.0047
Onchocerca volvulus		0.027	0.0301	0.0307
Brugia malayi	excitatory GABA receptor EXP-1A	0.0324	0.0416	0.0424
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0324	0.0416	0.0424
Schistosoma mansoni	nAChR subunit	0.0324	0.0416	0.0416
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0006	0.0006
Onchocerca volvulus		0.1306	0.2496	0.2542
Brugia malayi	hypothetical protein	0.015	0.0046	0.0047
Trypanosoma brucei	prolyl endopeptidase	0.0128	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0324	0.0416	0.0424
Echinococcus multilocularis	laminin	0.0136	0.0017	0.0067
Brugia malayi	Fibulin-1 precursor	0.0136	0.0017	0.0017
Leishmania major	hypothetical protein, conserved	0.1306	0.2496	1
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.015	0.0046	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0185	0.0121	0.0123
Schistosoma mansoni	neurotransmitter gated ion channel	0.0175	0.0099	0.0099
Echinococcus granulosus	enteropeptidase	0.0584	0.0967	0.3873
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.015	0.0046	0.0047
Onchocerca volvulus		0.0131	0.0006	0.0006
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0324	0.0416	0.0416
Schistosoma mansoni	neurotransmitter gated ion channel	0.015	0.0046	0.0046
Onchocerca volvulus		0.0175	0.0099	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0324	0.0416	0.0424
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0175	0.0099	0.0101
Toxoplasma gondii	subtilisin SUB12	0.0131	0.0006	0.0014
Onchocerca volvulus		0.0131	0.0006	0.0006
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0324	0.0416	0.1667
Toxoplasma gondii	PAN domain-containing protein	0.2029	0.4027	1
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0324	0.0416	0.1667
Brugia malayi	PAN domain containing protein	0.0131	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0175	0.0099	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0324	0.0416	0.0424
Entamoeba histolytica	hypothetical protein	0.0175	0.0099	0.5
Loa Loa (eye worm)	hypothetical protein	0.0584	0.0967	0.0984
Onchocerca volvulus		0.0131	0.0006	0.0006
Echinococcus granulosus	sterol O acyltransferase 1	0.0264	0.0288	0.1154
Toxoplasma gondii	hypothetical protein	0.0131	0.0006	0.0014
Loa Loa (eye worm)	hypothetical protein	0.4763	0.9819	1
Onchocerca volvulus		0.0131	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0324	0.0416	0.0424
Onchocerca volvulus		0.0324	0.0416	0.0424
Echinococcus multilocularis	glycine receptor subunit beta	0.0324	0.0416	0.1667
Onchocerca volvulus		0.0584	0.0967	0.0984
Loa Loa (eye worm)	hypothetical protein	0.015	0.0046	0.0047
Brugia malayi	SEA domain containing protein	0.027	0.0301	0.0307
Schistosoma mansoni	cercarial elastase (S01 family)	0.0584	0.0967	0.0967
Onchocerca volvulus		0.015	0.0046	0.0047
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0324	0.0416	0.1667
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0006	0.0006
Toxoplasma gondii	1,3(4)-beta-glucanase	0.0131	0.0006	0.0014
Echinococcus granulosus	tissue type plasminogen activator	0.1306	0.2496	1
Toxoplasma gondii	microneme protein MIC17C	0.0131	0.0006	0.0014
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.015	0.0046	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0584	0.0967	0.0984
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0324	0.0416	0.0424
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0324	0.0416	0.0424
Onchocerca volvulus		0.0131	0.0006	0.0006
Loa Loa (eye worm)	GABA receptor subunit	0.0175	0.0099	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0324	0.0416	0.0424
Brugia malayi	hypothetical protein	0.0584	0.0967	0.0984
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0324	0.0416	0.1667
Schistosoma mansoni	acetylcholine receptor-related	0.015	0.0046	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0324	0.0416	0.0424
Onchocerca volvulus		0.0131	0.0006	0.0006
Brugia malayi	hypothetical protein	0.015	0.0046	0.0047
Toxoplasma gondii	PAN domain-containing protein	0.0131	0.0006	0.0014
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0584	0.0967	0.0984
Echinococcus granulosus	transmembrane protease serine 3	0.0584	0.0967	0.3873
Brugia malayi	Cation transporter family protein	0.0324	0.0416	0.0424
Toxoplasma gondii	PAN domain-containing protein	0.0131	0.0006	0.0014
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0488	0.0762	0.0776
Loa Loa (eye worm)	PAN domain-containing protein	0.0131	0.0006	0.0006
Brugia malayi	PAN domain containing protein	0.0131	0.0006	0.0006
Echinococcus granulosus	glycine receptor subunit beta	0.0324	0.0416	0.1667
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0324	0.0416	0.1667
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0324	0.0416	0.0416
Brugia malayi	Kringle domain containing protein	0.1306	0.2496	0.2542
Schistosoma mansoni	nAChR subunit	0.0324	0.0416	0.0416
Brugia malayi	Cation transporter family protein	0.0324	0.0416	0.0424
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0185	0.0121	0.0123
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.015	0.0046	0.0047
Onchocerca volvulus		0.0324	0.0416	0.0424
Onchocerca volvulus		0.4179	0.8582	0.874
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0324	0.0416	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0584	0.0967	0.0984
Echinococcus granulosus	nAChR subunit	0.0175	0.0099	0.0397
Loa Loa (eye worm)	hypothetical protein	0.0324	0.0416	0.0424
Schistosoma mansoni	hypothetical protein	0.1306	0.2496	0.2496
Loa Loa (eye worm)	hypothetical protein	0.0324	0.0416	0.0424
Echinococcus granulosus	glycoprotein Antigen 5	0.0584	0.0967	0.3873
Schistosoma mansoni	cercarial elastase (S01 family)	0.0584	0.0967	0.0967
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0324	0.0416	0.1667
Loa Loa (eye worm)	PAN domain-containing protein	0.0131	0.0006	0.0006
Brugia malayi	Receptor family ligand binding region containing protein	0.0488	0.0762	0.0776
Loa Loa (eye worm)	hypothetical protein	0.1306	0.2496	0.2542
Loa Loa (eye worm)	hypothetical protein	0.0175	0.0099	0.0101
Loa Loa (eye worm)	hypothetical protein	0.015	0.0046	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0006	0.0006
Schistosoma mansoni	hypothetical protein	0.0584	0.0967	0.0967
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0324	0.0416	0.0424
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0324	0.0416	0.1667
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0584	0.0967	0.3873
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0324	0.0416	0.1667
Schistosoma mansoni	neurotransmitter gated ion channel	0.015	0.0046	0.0046
Onchocerca volvulus		0.0324	0.0416	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0175	0.0099	0.0101
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.015	0.0046	0.0047
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0136	0.0017	0.0042
Onchocerca volvulus		0.027	0.0301	0.0307
Toxoplasma gondii	microneme protein MIC4	0.0131	0.0006	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0324	0.0416	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0324	0.0416	0.0424
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0584	0.0967	0.0967
Loa Loa (eye worm)	LGC-31 protein	0.0324	0.0416	0.0424
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0324	0.0416	0.0424
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0175	0.0099	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0584	0.0967	0.0984
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.015	0.0046	0.0047
Loa Loa (eye worm)	ACC-1 protein	0.0324	0.0416	0.0424
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0324	0.0416	0.1667
Echinococcus multilocularis	nAChR subunit	0.0324	0.0416	0.1667
Schistosoma mansoni	cercarial elastase (S01 family)	0.0584	0.0967	0.0967
Loa Loa (eye worm)	hypothetical protein	0.027	0.0302	0.0308
Brugia malayi	hypothetical protein	0.015	0.0046	0.0047
Loa Loa (eye worm)	ACC-1 protein	0.0324	0.0416	0.0424
Loa Loa (eye worm)	hypothetical protein	0.015	0.0046	0.0047
Schistosoma mansoni	cercarial elastase (S01 family)	0.0584	0.0967	0.0967
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.015	0.0046	0.0184
Onchocerca volvulus		0.0584	0.0967	0.0984
Toxoplasma gondii	PAN/Apple domain-containing protein	0.0131	0.0006	0.0014
Echinococcus granulosus	laminin	0.0136	0.0017	0.0067
Brugia malayi	Trypsin family protein	0.0584	0.0967	0.0984
Brugia malayi	Calcium binding EGF domain containing protein	0.0136	0.0017	0.0017
Loa Loa (eye worm)	acetylcholine receptor protein	0.015	0.0046	0.0047
Schistosoma mansoni	nAChR subunit	0.015	0.0046	0.0046
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0324	0.0416	0.1667
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0324	0.0416	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0172	0.0093	0.0095
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0324	0.0416	0.1667
Toxoplasma gondii	microneme protein MIC17B	0.0131	0.0006	0.0014
Onchocerca volvulus		0.027	0.0301	0.0307
Brugia malayi	PAN domain containing protein	0.0131	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0238	0.0233	0.0238
Echinococcus multilocularis	glycoprotein Antigen 5	0.0584	0.0967	0.3873
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0324	0.0416	0.1667
Loa Loa (eye worm)	hypothetical protein	0.4763	0.9819	1
Brugia malayi	Muscle positioning protein 4	0.0349	0.0468	0.0476
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.015	0.0046	0.0184
Schistosoma mansoni	nAChR subunit	0.0324	0.0416	0.0416
Mycobacterium ulcerans	hypothetical protein	0.0584	0.0967	0.5
Toxoplasma gondii	PAN domain-containing protein	0.0131	0.0006	0.0014
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0185	0.0121	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0324	0.0416	0.0424
Onchocerca volvulus		0.0324	0.0416	0.0424
Echinococcus multilocularis	sterol O acyltransferase 1	0.0264	0.0288	0.1154
Echinococcus multilocularis	Mastin	0.0584	0.0967	0.3873
Schistosoma mansoni	cercarial elastase (S01 family)	0.0584	0.0967	0.0967
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0017	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0175	0.0099	0.0101
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.1306	0.2496	0.5
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0584	0.0967	0.0967
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.015	0.0046	0.0184
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0324	0.0416	0.0424
Onchocerca volvulus		0.015	0.0046	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0175	0.0099	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0324	0.0416	0.0424
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0175	0.0099	0.0101
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0136	0.0017	0.0017
Loa Loa (eye worm)	PAN domain-containing protein	0.0131	0.0006	0.0006
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.015	0.0046	0.0047
Plasmodium falciparum	cysteine repeat modular protein 1	0.1306	0.2496	0.5
Loa Loa (eye worm)	hypothetical protein	0.015	0.0046	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0264	0.0288	0.0293
Loa Loa (eye worm)	hypothetical protein	0.0324	0.0416	0.0424
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0324	0.0416	0.1667
Loa Loa (eye worm)	hypothetical protein	0.0495	0.0777	0.0792
Brugia malayi	PAN domain containing protein	0.0131	0.0006	0.0006
Onchocerca volvulus		0.0584	0.0967	0.0984
Onchocerca volvulus		0.0131	0.0006	0.0006
Schistosoma mansoni	nAChR subunit	0.0324	0.0416	0.0416
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0175	0.0099	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0175	0.0099	0.0101
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0584	0.0967	0.3873
Echinococcus multilocularis	enteropeptidase	0.0584	0.0967	0.3873
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0172	0.0093	0.0095
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0324	0.0416	0.0424
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0175	0.0099	0.0101
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0324	0.0416	0.1667
Onchocerca volvulus		0.0324	0.0416	0.0424
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0324	0.0416	0.0424
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0584	0.0967	0.3873
Loa Loa (eye worm)	hypothetical protein	0.015	0.0046	0.0047
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0324	0.0416	0.0424
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.015	0.0046	0.0047
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0324	0.0416	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0345	0.046	0.0469
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0218	0.019	0.019
Onchocerca volvulus	Arrow homolog	0.0185	0.0121	0.0123
Schistosoma mansoni	cercarial elastase (S01 family)	0.0584	0.0967	0.0967
Toxoplasma gondii	microneme protein, putative	0.0131	0.0006	0.0014
Echinococcus multilocularis	transmembrane protease serine 3	0.0584	0.0967	0.3873
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.015	0.0046	0.0047
Loa Loa (eye worm)	hypothetical protein	0.027	0.0301	0.0307
Schistosoma mansoni	cercarial elastase (S01 family)	0.0584	0.0967	0.0967
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0006	0.0006
Brugia malayi	PAN domain containing protein	0.0131	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0584	0.0967	0.0984
Loa Loa (eye worm)	hypothetical protein	0.0324	0.0416	0.0424
Loa Loa (eye worm)	hypothetical protein	0.015	0.0046	0.0047
Echinococcus multilocularis	glycine receptor subunit beta	0.0324	0.0416	0.1667
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0324	0.0416	0.0424
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0495	0.0777	0.0792
Onchocerca volvulus		0.015	0.0046	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0324	0.0416	0.0424
Brugia malayi	PAN domain containing protein	0.0131	0.0006	0.0006
Brugia malayi	hypothetical protein	0.015	0.0046	0.0047
Brugia malayi	PAN domain containing protein	0.0131	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.015	0.0046	0.0047
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0324	0.0416	0.1667
Onchocerca volvulus		0.0584	0.0967	0.0984
Onchocerca volvulus		0.0131	0.0006	0.0006
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0584	0.0967	0.3873
Loa Loa (eye worm)	PAN domain-containing protein	0.0131	0.0006	0.0006
Echinococcus granulosus	Tolloid protein 1	0.0172	0.0093	0.0373
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0324	0.0416	0.0416
Loa Loa (eye worm)	hypothetical protein	0.015	0.0046	0.0047
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0324	0.0416	0.1667
Loa Loa (eye worm)	hypothetical protein	0.0324	0.0416	0.0424
Echinococcus multilocularis	nAChR subunit	0.0175	0.0099	0.0397
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.4763	0.9819	0.9819
Loa Loa (eye worm)	hypothetical protein	0.015	0.0046	0.0047
Onchocerca volvulus		0.0131	0.0006	0.0006
Toxoplasma gondii	PAN domain-containing protein	0.2029	0.4027	1
Brugia malayi	Trypsin-like protease protein 5	0.0584	0.0967	0.0984
Onchocerca volvulus	Putative nachr subunit	0.0324	0.0416	0.0424
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.015	0.0046	0.0184
Loa Loa (eye worm)	hypothetical protein	0.015	0.0046	0.0047
Echinococcus granulosus	glycine receptor subunit beta	0.0324	0.0416	0.1667
Schistosoma mansoni	nAChR subunit	0.015	0.0046	0.0046
Schistosoma mansoni	cercarial elastase (S01 family)	0.0584	0.0967	0.0967
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0324	0.0416	0.0424
Schistosoma mansoni	cercarial elastase (S01 family)	0.0584	0.0967	0.0967
Toxoplasma gondii	hypothetical protein	0.0131	0.0006	0.0014
Echinococcus granulosus	Mastin	0.0584	0.0967	0.3873
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0324	0.0416	0.0424
Schistosoma mansoni	egf-like domain protein	0.0136	0.0017	0.0017
Brugia malayi	Trypsin family protein	0.0584	0.0967	0.0984
Onchocerca volvulus		0.0131	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0175	0.0099	0.0101
Schistosoma mansoni	nAChR subunit	0.0324	0.0416	0.0416
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0324	0.0416	0.1667
Brugia malayi	Trypsin family protein	0.4763	0.9819	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0324	0.0416	0.0416
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0324	0.0416	0.0424
Loa Loa (eye worm)	DOMON domain-containing protein	0.027	0.0301	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0349	0.0468	0.0476
Schistosoma mansoni	nAChR subunit	0.0324	0.0416	0.0416
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0324	0.0416	0.0424
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0324	0.0416	0.0424
Brugia malayi	hypothetical protein	0.015	0.0046	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0136	0.0017	0.0017
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0175	0.0099	0.0099
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0324	0.0416	0.0416
Schistosoma mansoni	sterol O-acyltransferase 1	0.0264	0.0288	0.0288
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.062	0.1043	0.1043
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0324	0.0416	0.1667
Onchocerca volvulus		0.027	0.0301	0.0307
Trypanosoma cruzi	hypothetical protein, conserved	0.1306	0.2496	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0324	0.0416	0.0424
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0136	0.0017	0.0042
Toxoplasma gondii	PAN domain-containing protein	0.0131	0.0006	0.0014
Brugia malayi	PAN domain containing protein	0.0131	0.0006	0.0006
Onchocerca volvulus		0.0175	0.0099	0.0101
Echinococcus multilocularis	Tolloid protein 1	0.0172	0.0093	0.0373
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0324	0.0416	0.1667
Echinococcus multilocularis	tissue type plasminogen activator	0.1306	0.2496	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0324	0.0416	0.0424
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0172	0.0093	0.0093
Brugia malayi	Trypsin family protein	0.0584	0.0967	0.0984
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0584	0.0967	0.0967
Echinococcus multilocularis	fibrillin 1	0.0136	0.0017	0.0067
Onchocerca volvulus		0.4763	0.9819	1
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0175	0.0099	0.0101
Loa Loa (eye worm)	hypothetical protein	0.015	0.0046	0.0047
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0324	0.0416	0.1667
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0006	0.0006
Loa Loa (eye worm)	PAN domain-containing protein	0.0131	0.0006	0.0006
Schistosoma mansoni	cercarial elastase (S01 family)	0.0584	0.0967	0.0967
Schistosoma mansoni	acetylcholine receptor subunit beta	0.015	0.0046	0.0046
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0324	0.0416	0.0424
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0584	0.0967	0.0967
Loa Loa (eye worm)	hypothetical protein	0.015	0.0046	0.0047
Onchocerca volvulus		0.0324	0.0416	0.0424
Onchocerca volvulus		0.0584	0.0967	0.0984
Schistosoma mansoni	cercarial elastase (S01 family)	0.0584	0.0967	0.0967
Schistosoma mansoni	nAChR subunit	0.0324	0.0416	0.0416

Activities

Activity type	Activity value	Assay description	Source	Reference
Delta HDL (functional)	= 19 %	Chronic in vivo activity of the compound was measured by the concentration of high density lipoproteins (HDL) in cholesterol fed rats	ChEMBL.	8632431
Delta HDL (functional)	= 19 %	Chronic in vivo activity of the compound was measured by the concentration of high density lipoproteins (HDL) in cholesterol fed rats	ChEMBL.	8632431
Delta TC (functional)	= -65 %	Acute in vivo activity measured by total plasma cholesterol concentration levels (TC) at 30 mg/kg dose	ChEMBL.	8632431
Delta TC (functional)	= -65 %	Acute in vivo activity of the compound was measured by the total plasma cholesterol concentration levels(TC) at dose 3 mg/kg	ChEMBL.	8632431
Delta TC (functional)	= -65 %	Acute in vivo activity of the compound was measured by the total plasma cholesterol concentration levels(TC) at dose 3 mg/kg	ChEMBL.	8632431
Delta TC (functional)	= -51 %	Chronic in vivo activity of the compound was measured by the total cholesterol concentration levels in cholesterol fed rats	ChEMBL.	8632431
Delta TC (functional)	= -51 %	Chronic in vivo activity of the compound was measured by the total cholesterol concentration levels in cholesterol fed rats	ChEMBL.	8632431
IC50 (binding)	= 0.33 uM	In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 in microsomes of rat liver	ChEMBL.	8632431
IC50 (binding)	= 0.33 uM	In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 in microsomes of rat liver	ChEMBL.	8632431

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL24887
PubChem: 10649351

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 26739