TDR Targets

Basic information

Technical information

TDR Targets ID: 26594
Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[ethyl(prop-2 -enyl)sulfamoyl]urea
MW: 367.506 | Formula: C18H29N3O3S
H donors: 2 H acceptors: 3 LogP: 4.22 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: C=CCN(S(=O)(=O)NC(=O)Nc1c(cccc1C(C)C)C(C)C)CC
InChi: 1S/C18H29N3O3S/c1-7-12-21(8-2)25(23,24)20-18(22)19-17-15(13(3)4)10-9-11-16(17)14(5)6/h7,9-11,13-14H,1,8,12H2,2-6H3,(H2,19,20,22)
InChiKey: BLMLNPURHBAVAY-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-[allyl(ethyl)sulfamoyl]-3-(2,6-diisopropylphenyl)urea
1-[2,6-di(propan-2-yl)phenyl]-3-(ethyl-prop-2-enylsulfamoyl)urea
3-(allyl-ethyl-sulfamoyl)-1-(2,6-diisopropylphenyl)urea
3-(allyl-ethylsulfamoyl)-1-(2,6-diisopropylphenyl)urea
1-[2,6-di(propan-2-yl)phenyl]-3-(ethyl-prop-2-enyl-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
Echinococcus granulosus	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
Schistosoma mansoni	sterol O-acyltransferase 1	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
Schistosoma japonicum	ko:K00637 sterol O-acyltransferase [EC2.3.1.26], putative	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

By sequence similarity to non orthologous known druggable targets

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	endothelin converting enzyme 1	0.0091	0.0418	0.0917
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0052	0.0106	0.0094
Mycobacterium tuberculosis	Probable transcriptional regulatory protein NrdR	0.0094	0.0435	0.0915
Treponema pallidum	ribonucleotide-diphosphate reductase subunit alpha	0.0596	0.4443	1
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.008	0.0327	0.0315
Echinococcus granulosus	caspase 2	0.0127	0.0705	0.1564
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0265	0.1802	0.391
Mycobacterium tuberculosis	Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase)	0.0181	0.113	0.2852
Plasmodium falciparum	plasmepsin I	0.0099	0.0477	0.0855
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0189	0.0408
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0092	0.0425	0.0893
Plasmodium vivax	hypothetical protein, conserved	0.0087	0.0382	0.0637
Loa Loa (eye worm)	aspartyl protease 6	0.0063	0.0189	0.0408
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.0265	0.1802	0.1792
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0106	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0164	0.0999	0.2155
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0559	0.1205
Echinococcus multilocularis	caspase 2	0.0127	0.0705	0.1564
Echinococcus granulosus	endothelin converting enzyme 1	0.0091	0.0418	0.0917
Mycobacterium ulcerans	ribonucleotide-diphosphate reductase subunit alpha	0.0503	0.3697	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0294	0.0633
Entamoeba histolytica	hypothetical protein	0.0071	0.0253	0.1609
Echinococcus granulosus	ribonucleoside diphosphate reductase large	0.0596	0.4443	1
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0068	0.0228	0.0492
Echinococcus granulosus	caspase	0.023	0.1522	0.3407
Trypanosoma cruzi	metacaspase, putative	0.0087	0.0382	0.0637
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0228	0.0492
Brugia malayi	Pepsin A precursor	0.0063	0.0189	0.0383
Echinococcus multilocularis	kelch ECH associated protein 1	0.0277	0.19	0.4262
Mycobacterium leprae	PROBABLE HYDROLASE	0.0092	0.0425	0.0021
Toxoplasma gondii	aspartyl protease	0.0063	0.0189	0.0191
Echinococcus granulosus	sterol regulatory element binding protein	0.0109	0.0559	0.1234
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0168	0.1029	1
Schistosoma mansoni	caspase-7 (C14 family)	0.023	0.1522	0.1511
Brugia malayi	aspartic protease BmAsp-1, identical	0.0063	0.0189	0.0383
Echinococcus granulosus	integrin alpha ps	0.0134	0.0754	0.1674
Onchocerca volvulus		0.0063	0.0189	0.174
Brugia malayi	Cell death protein 3 precursor	0.0127	0.0705	0.1498
Onchocerca volvulus	Matrilysin homolog	0.0076	0.0294	0.2767
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.0559	0.1261
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0477	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0418	0.0902
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0418	0.0902
Schistosoma mansoni	transcription factor LCR-F1	0.0071	0.0253	0.0241
Schistosoma mansoni	caspase-3 (C14 family)	0.023	0.1522	0.1511
Echinococcus multilocularis	integrin alpha ps	0.0134	0.0754	0.1674
Schistosoma mansoni	hypothetical protein	0.0278	0.1906	0.1897
Mycobacterium tuberculosis	Conserved protein	0.0167	0.1017	0.2536
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0418	0.0902
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0071	0.0253	0.0543
Plasmodium falciparum	plasmepsin III	0.0063	0.0189	0.0191
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0063	0.0189	0.0191
Trypanosoma cruzi	metacaspase 5, putative	0.0087	0.0382	0.0637
Mycobacterium leprae	conserved hypothetical protein	0.0167	0.1017	0.1825
Mycobacterium tuberculosis	Probable zinc metalloprotease Zmp1	0.0091	0.0418	0.0869
Entamoeba histolytica	hypothetical protein	0.0071	0.0253	0.1609
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0099	0.0477	0.1049
Trypanosoma cruzi	ribonucleoside-diphosphate reductase large chain, putative	0.0154	0.0919	0.1874
Brugia malayi	latrophilin 2 splice variant baaae	0.0133	0.0753	0.1602
Plasmodium vivax	aspartyl protease, putative	0.0063	0.0189	0.0191
Onchocerca volvulus	Cell death protein 3 homolog	0.0127	0.0705	0.6813
Trypanosoma cruzi	ribonucleoside-diphosphate reductase large chain, putative	0.0596	0.4443	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0063	0.0189	0.0177
Brugia malayi	Integrin beta pat-3 precursor	0.0621	0.4638	1
Loa Loa (eye worm)	hypothetical protein	0.0195	0.1246	0.2686
Echinococcus granulosus	GPCR family 2	0.0062	0.0182	0.0383
Schistosoma mansoni	ribonucleoside-diphosphate reductase alpha subunit	0.0596	0.4443	0.4436
Entamoeba histolytica	hypothetical protein	0.0071	0.0253	0.1609
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0182	0.0392
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0046	0.0057	0.0045
Loa Loa (eye worm)	hypothetical protein	0.004	0.0012	0.0026
Mycobacterium ulcerans	transcriptional regulator NrdR	0.0094	0.0435	0.005
Plasmodium falciparum	plasmepsin VIII, putative	0.0063	0.0189	0.0191
Brugia malayi	ribonucleoside-diphosphate reductase large chain, putative	0.0596	0.4443	0.9578
Echinococcus granulosus	Niemann Pick C1 protein	0.0109	0.0559	0.1234
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0063	0.0189	0.0177
Trichomonas vaginalis	conserved hypothetical protein	0.0087	0.0382	0.0769
Mycobacterium tuberculosis	Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein)	0.0503	0.3697	1
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.0265	0.1802	0.391
Trypanosoma brucei	ribonucleoside-diphosphate reductase large chain	0.0596	0.4443	1
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.0265	0.1802	0.4039
Schistosoma mansoni	integrin alpha-ps	0.0134	0.0754	0.0743
Plasmodium falciparum	plasmepsin VII	0.0063	0.0189	0.0191
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0087	0.0382	0.0769
Echinococcus multilocularis	kelch ECH associated protein 1	0.0277	0.19	0.4262
Plasmodium vivax	ribonucleoside-diphosphate reductase large chain, putative	0.0596	0.4443	1
Schistosoma mansoni	integrin beta subunit	0.0366	0.2603	0.2594
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0276	0.1886	0.4229
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.0265	0.1802	0.4039
Schistosoma mansoni	hypothetical protein	0.0133	0.0753	0.0742
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0087	0.0382	0.0769
Plasmodium vivax	aspartyl protease, putative	0.0063	0.0189	0.0191
Mycobacterium ulcerans	hypothetical protein	0.0167	0.1017	0.1825
Plasmodium vivax	aspartyl protease, putative	0.0063	0.0189	0.0191
Echinococcus multilocularis	Kelch repeat type 1	0.0278	0.1906	0.4275
Trichomonas vaginalis	conserved hypothetical protein	0.0087	0.0382	0.0769
Plasmodium falciparum	plasmepsin IX	0.0063	0.0189	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0189	0.0408
Brugia malayi	Matrixin family protein	0.0076	0.0294	0.0608
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0076	0.0294	0.0282
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0063	0.0189	0.0177
Brugia malayi	hypothetical protein	0.0063	0.0189	0.0383
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0062	0.0182	0.0383
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0062	0.0182	0.0383
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0052	0.0106	0.0094
Trypanosoma cruzi	metacaspase 5, putative	0.0087	0.0382	0.0637
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0099	0.0477	0.1033
Plasmodium falciparum	plasmepsin II	0.0099	0.0477	0.0855
Echinococcus multilocularis	disks large 3	0.0047	0.0064	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0241	0.0519
Loa Loa (eye worm)	lethal(1)discs large-1 tumor suppressor	0.0044	0.0043	0.0093
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0052	0.0106	0.0212
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0063	0.0189	0.0383
Echinococcus multilocularis	ribonucleoside diphosphate reductase large	0.0596	0.4443	1
Brugia malayi	hypothetical protein	0.0063	0.0189	0.0383
Mycobacterium ulcerans	hydrolase	0.0092	0.0425	0.0021
Toxoplasma gondii	aspartyl protease ASP1	0.0099	0.0477	0.0855
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0195	0.1246	0.2686
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.0225	0.1486	0.3185
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.023	0.1522	0.3407
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0195	0.1246	0.2667
Loa Loa (eye worm)	hypothetical protein	0.0264	0.1793	0.3865
Brugia malayi	Latrophilin receptor protein 2	0.0062	0.0182	0.0367
Trypanosoma brucei	metacaspase	0.0087	0.0382	0.0637
Brugia malayi	Peptidase family M13 containing protein	0.0091	0.0418	0.0878
Trichomonas vaginalis	ribonucleoside-diphosphate reductase alpha chain, putative	0.0503	0.3697	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0241	0.0519
Echinococcus multilocularis	integrin alpha 3	0.0228	0.151	0.338
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0062	0.0182	0.0383
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.0265	0.1802	0.4219
Schistosoma mansoni	cathepsin D (A01 family)	0.0191	0.1212	0.1201
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0265	0.1802	0.391
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0425	0.0917
Echinococcus granulosus	integrin beta 2	0.046	0.3355	0.7546
Schistosoma mansoni	integrin alpha-ps	0.007	0.0244	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0228	0.0492
Trypanosoma brucei	metacaspase MCA3	0.0087	0.0382	0.0637
Echinococcus granulosus	kelch ECH associated protein 1	0.0277	0.19	0.4262
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0124	0.068	0.1599
Trypanosoma brucei	metacaspase 5, putative	0.0087	0.0382	0.0637
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0228	0.0492
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0063	0.0189	0.0177
Echinococcus multilocularis	protein dispatched 1	0.0109	0.0559	0.1234
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0052	0.0106	0.0212
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0276	0.1886	0.4229
Plasmodium vivax	aspartyl proteinase, putative	0.0063	0.0189	0.0191
Echinococcus multilocularis	caspase	0.023	0.1522	0.3407
Trypanosoma brucei	Metacaspase-4	0.0087	0.0382	0.0637
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0063	0.0189	0.0408
Loa Loa (eye worm)	matrixin family protein	0.0168	0.1029	0.2219
Loa Loa (eye worm)	hypothetical protein	0.0238	0.1587	0.3422
Schistosoma mansoni	patched 1	0.0109	0.0559	0.0548
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0109	0.0559	0.1205
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0294	0.0633
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0087	0.0382	0.0637
Echinococcus granulosus	kelch ECH associated protein 1 like	0.0277	0.19	0.4262
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0087	0.0382	0.0769
Trypanosoma brucei	metacaspase MCA2	0.0087	0.0382	0.0637
Schistosoma mansoni	hypothetical protein	0.0062	0.0182	0.017
Brugia malayi	Kelch motif family protein	0.0094	0.0441	0.0928
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0241	0.0519
Entamoeba histolytica	hypothetical protein, conserved	0.0167	0.1017	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0063	0.0189	0.0177
Echinococcus multilocularis	Niemann Pick C1 protein	0.0109	0.0559	0.1234
Onchocerca volvulus	Matrilysin homolog	0.0168	0.1029	1
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0087	0.0382	0.0637
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0092	0.0425	0.0889
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0087	0.0382	0.0769
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0124	0.068	0.1599
Echinococcus granulosus	integrin alpha ps	0.0064	0.02	0.0423
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0124	0.068	0.1599
Schistosoma mansoni	hypothetical protein	0.0062	0.0182	0.017
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0091	0.0418	0.0407
Brugia malayi	Hypothetical zinc metalloproteinase T16A9.4	0.0091	0.0418	0.0878
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0241	0.0519
Echinococcus granulosus	caspase 3	0.0143	0.0829	0.1843
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0228	0.0492
Echinococcus multilocularis	sterol O acyltransferase 1	0.0264	0.1793	0.4019
Brugia malayi	Matrixin family protein	0.0076	0.0294	0.0608
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0071	0.0253	0.0543
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0109	0.0559	0.0548
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0062	0.0182	0.0367
Trichomonas vaginalis	conserved hypothetical protein	0.0087	0.0382	0.0769
Plasmodium falciparum	ribonucleoside-diphosphate reductase large subunit, putative	0.0596	0.4443	1
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0099	0.0477	0.1028
Trypanosoma cruzi	metacaspase, putative	0.0087	0.0382	0.0637
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0087	0.0382	0.0769
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.0265	0.1802	0.391
Brugia malayi	Hemopexin family protein	0.0107	0.0546	0.1154
Plasmodium vivax	metacaspase 1, putative	0.0087	0.0382	0.0637
Brugia malayi	hypothetical protein	0.0094	0.0441	0.0928
Chlamydia trachomatis	ribonucleoside-diphosphate reductase subunit alpha	0.0596	0.4443	1
Plasmodium vivax	plasmepsin V, putative	0.0063	0.0189	0.0191
Brugia malayi	aspartic protease BmAsp-2, identical	0.0063	0.0189	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0382	0.0825
Plasmodium falciparum	plasmepsin IV	0.0099	0.0477	0.0855
Brugia malayi	Hydroxymethylglutaryl-coenzyme A reductase family protein	0.0265	0.1802	0.3869
Echinococcus granulosus	Protein patched homolog 1	0.0109	0.0559	0.1234
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0087	0.0382	0.0769
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0046	0.0057	0.0045
Toxoplasma gondii	peptidase family M13 protein	0.0091	0.0418	0.072
Echinococcus multilocularis	protein patched	0.0109	0.0559	0.1234
Echinococcus granulosus	caspase 8	0.0087	0.0382	0.0836
Schistosoma mansoni	Nep2 peptidase (M13 family)	0.0046	0.0057	0.0045
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0063	0.0189	0.0177
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.0087	0.0382	0.0371
Brugia malayi	hypothetical protein	0.0071	0.0253	0.052
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.0087	0.0382	0.08
Brugia malayi	Guanylate kinase family protein	0.0052	0.0102	0.0195
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.023	0.1522	0.3407
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0051	0.0109
Brugia malayi	CHE-14 protein	0.0109	0.0559	0.1182
Echinococcus granulosus	kelch ECH associated protein 1 like	0.0277	0.19	0.4262
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0705	0.152
Schistosoma mansoni	neprilysin-2 (M13 family)	0.0046	0.0057	0.0045
Loa Loa (eye worm)	ribonucleoside-diphosphate reductase large subunit	0.0596	0.4443	0.9579
Brugia malayi	Integrin alpha pat-2 precursor	0.0298	0.2064	0.4436
Giardia lamblia	3-hydroxy-3-methylglutaryl-coenzyme A reductase	0.0124	0.068	1
Leishmania major	metacaspase, putative	0.0087	0.0382	0.0637
Loa Loa (eye worm)	matrix metalloproteinase	0.0076	0.0294	0.0633
Toxoplasma gondii	ribonucleoside-diphosphate reductase large chain	0.0596	0.4443	1
Loa Loa (eye worm)	hypothetical protein	0.0225	0.1486	0.3203
Toxoplasma gondii	aspartyl protease ASP3	0.0063	0.0189	0.0191
Schistosoma mansoni	cell polarity protein	0.0047	0.0064	0.0052
Echinococcus multilocularis	caspase 8	0.0087	0.0382	0.0836
Entamoeba histolytica	hypothetical protein	0.0071	0.0253	0.1609
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0087	0.0382	0.0769
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0099	0.0477	0.0465
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0099	0.0477	0.1049
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0241	0.0519
Schistosoma mansoni	hypothetical protein	0.0062	0.0182	0.017
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0062	0.0182	0.0383
Echinococcus granulosus	disks large 3	0.0047	0.0064	0.0117
Plasmodium falciparum	metacaspase 1	0.0087	0.0382	0.0637
Echinococcus multilocularis	sterol regulatory element binding protein	0.0109	0.0559	0.1234
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0195	0.1246	0.2667
Echinococcus granulosus	integrin alpha 3	0.0228	0.151	0.338
Plasmodium falciparum	metacaspase-like protein	0.0087	0.0382	0.0637
Echinococcus multilocularis	integrin alpha ps	0.0134	0.0754	0.1674
Loa Loa (eye worm)	hypothetical protein	0.0133	0.0753	0.1624
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0063	0.0189	0.0177
Echinococcus multilocularis	GPCR, family 2	0.0062	0.0182	0.0383
Wolbachia endosymbiont of Brugia malayi	ribonucleotide-diphosphate reductase subunit alpha	0.0503	0.3697	0.5
Echinococcus granulosus	sterol O acyltransferase 1	0.0264	0.1793	0.4019
Mycobacterium leprae	conserved hypothetical protein	0.0094	0.0435	0.005
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0441	0.0952
Onchocerca volvulus		0.0076	0.0294	0.2767
Leishmania major	ribonucleoside-diphosphate reductase large chain, putative	0.0596	0.4443	1
Plasmodium falciparum	plasmepsin X	0.0063	0.0189	0.0191
Mycobacterium leprae	RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN)	0.0503	0.3697	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0241	0.0519
Loa Loa (eye worm)	hypothetical protein	0.0234	0.1554	0.335
Trichomonas vaginalis	conserved hypothetical protein	0.0087	0.0382	0.0769
Trichomonas vaginalis	conserved hypothetical protein	0.0087	0.0382	0.0769
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0087	0.0382	0.0637
Schistosoma mansoni	integrin alpha	0.0298	0.2064	0.2054
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0062	0.0182	0.0392
Schistosoma mansoni	caspase-7 (C14 family)	0.0127	0.0705	0.0694
Loa Loa (eye worm)	hypothetical protein	0.007	0.0244	0.0525
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0294	0.0633
Trypanosoma cruzi	metacaspase, putative	0.0087	0.0382	0.0637
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0094	0.0441	0.0952
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0099	0.0477	0.0855
Trichomonas vaginalis	conserved hypothetical protein	0.0087	0.0382	0.0769
Brugia malayi	eukaryotic initiation factor 4A	0.0052	0.0106	0.0203
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0052	0.0106	0.0212
Trypanosoma cruzi	metacaspase, putative	0.0087	0.0382	0.0637
Schistosoma mansoni	cathepsin D (A01 family)	0.0191	0.1212	0.1201
Schistosoma mansoni	hypothetical protein	0.0071	0.0253	0.0241
Schistosoma mansoni	hypothetical protein	0.0064	0.02	0.0188
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0052	0.0106	0.0212
Schistosoma mansoni	sterol O-acyltransferase 1	0.0264	0.1793	0.1783
Brugia malayi	Matrixin family protein	0.0183	0.115	0.246
Loa Loa (eye worm)	integrin alpha pat-2	0.0459	0.335	0.7223
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0063	0.0189	0.0177
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0087	0.0382	0.0769
Loa Loa (eye worm)	integrin beta-2	0.0621	0.4638	1
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0068	0.0228	0.0492
Schistosoma mansoni	hypothetical protein	0.0062	0.0182	0.017
Echinococcus multilocularis	integrin beta 2	0.046	0.3355	0.7546
Schistosoma mansoni	hypothetical protein	0.0107	0.0546	0.0535
Loa Loa (eye worm)	hypothetical protein	0.0064	0.02	0.0431
Onchocerca volvulus		0.0107	0.0546	0.5249
Echinococcus multilocularis	caspase 3	0.0143	0.0829	0.1843
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.0046	0.0057	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0265	0.1802	0.3885
Onchocerca volvulus		0.0045	0.0051	0.0378
Mycobacterium ulcerans	hypothetical protein	0.0167	0.1017	0.1825
Brugia malayi	Matrixin family protein	0.0076	0.0294	0.0608
Onchocerca volvulus		0.0063	0.0189	0.174
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0167	0.1017	0.2536
Loa Loa (eye worm)	matrixin family protein	0.0183	0.115	0.248
Plasmodium falciparum	plasmepsin V	0.0063	0.0189	0.0191
Plasmodium vivax	aspartyl proteinase, putative	0.0099	0.0477	0.0855
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0087	0.0382	0.0769
Echinococcus multilocularis	integrin alpha ps	0.0064	0.02	0.0423
Brugia malayi	Matrixin family protein	0.0076	0.0294	0.0608
Plasmodium falciparum	plasmepsin VI	0.0099	0.0477	0.0855
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0052	0.0106	0.0924
Plasmodium vivax	plasmepsin IV, putative	0.0099	0.0477	0.0855

Activities

Activity type	Activity value	Assay description	Source	Reference
Delta TC (functional)	= -48 %	Acute in vivo activity measured by total plasma cholesterol concentration levels (TC) at 30 mg/kg dose	ChEMBL.	8632431
IC50 (binding)	= 2.1 uM	In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase 1 in microsomes of rat liver	ChEMBL.	8632431
IC50 (binding)	= 2.1 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: CHEMBL21415
PubChem: 10737723

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 26594