TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 514.033 | Formula: C27H28ClNO5S
H donors: 2 H acceptors: 4 LogP: 5.58 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: COc1cccc(c1)Cc1cc2CC(CCc2c(c1)CCC(=O)O)NS(=O)(=O)c1ccc(cc1)Cl
InChi: 1S/C27H28ClNO5S/c1-34-24-4-2-3-18(16-24)13-19-14-20(5-12-27(30)31)26-11-8-23(17-21(26)15-19)29-35(32,33)25-9-6-22(28)7-10-25/h2-4,6-7,9-10,14-16,23,29H,5,8,11-13,17H2,1H3,(H,30,31)
InChiKey: JWGIOZDLLIIDRG-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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

Clustering layers

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

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.0023	0.0154	0.0177
Loa Loa (eye worm)	bromodomain containing protein	0.002	0.0101	0.0116
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0018	0.0067	0.0031
Trypanosoma brucei	ingi protein (ORF1)	0.0024	0.0169	0.0274
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0067	0.0013
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0024	0.0165	0.0264
Schistosoma mansoni	bromodomain containing protein	0.0072	0.0945	0.1578
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.005	0.059	0.0539
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.005	0.059	0.1274
Echinococcus granulosus	thymidine kinase	0.024	0.3673	0.3639
Treponema pallidum	thymidylate kinase (tmk)	0.008	0.1076	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0524	0.0472
Mycobacterium ulcerans	anthranilate phosphoribosyltransferase	0.0178	0.2667	0.2604
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0189	0.0336
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0018	0.0067	0.0031
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0747	0.1226
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.005	0.059	0.1208
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0384	0.09
Plasmodium vivax	SET domain protein, putative	0.0034	0.0329	0.26
Chlamydia trachomatis	glycogen phosphorylase	0.023	0.3511	1
Giardia lamblia	Cytidine deaminase	0.0056	0.0695	0.1075
Brugia malayi	hypothetical protein	0.0025	0.0189	0.0358
Schistosoma mansoni	cpg binding protein	0.0028	0.0239	0.0328
Echinococcus granulosus	Glycosyl transferase family 35	0.023	0.3511	0.3476
Trichomonas vaginalis	thymidylate kinase, putative	0.008	0.1076	0.2523
Echinococcus granulosus	Thymidine kinase 2 mitochondrial	0.024	0.3673	0.3639
Toxoplasma gondii	ribonuclease HI protein	0.0022	0.0139	0.0714
Schistosoma mansoni	zinc finger protein	0.0023	0.0161	0.0189
Schistosoma mansoni	hypothetical protein	0.0017	0.0058	0.0007
Trichomonas vaginalis	thymidine kinase, putative	0.0277	0.4264	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0053	0.0635	0.1029
Toxoplasma gondii	exonuclease III APE	0.0019	0.0086	0.0184
Giardia lamblia	Ribonuclease H	0.0022	0.0139	0.0094
Echinococcus granulosus	glycogen phosphorylase	0.023	0.3511	0.3476
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0018	0.0067	0.0033
Schistosoma mansoni	glycogen phosphorylase	0.023	0.3511	0.6118
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0068	0.0881	0.0832
Loa Loa (eye worm)	phosphatidylinositol 3	0.005	0.059	0.1338
Toxoplasma gondii	cytidine and deoxycytidylate deaminase zinc-binding region domain-containing protein	0.0056	0.0695	0.6229
Echinococcus multilocularis	thymidylate kinase	0.008	0.1076	0.1027
Trypanosoma cruzi	thymidylate kinase, putative	0.008	0.1076	0.2427
Plasmodium falciparum	thymidylate kinase	0.008	0.1076	1
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0018	0.0067	0.0031
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.004	0.0429	0.0376
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0034	0.0329	0.0277
Trichomonas vaginalis	set domain proteins, putative	0.0263	0.4045	0.9488
Schistosoma mansoni	ap endonuclease	0.0019	0.0086	0.0056
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0384	0.09
Echinococcus granulosus	histone lysine methyltransferase setb	0.0053	0.0635	0.0585
Entamoeba histolytica	cytidine deaminase, putative	0.0056	0.0695	0.1459
Trichomonas vaginalis	thymidine kinase, putative	0.0277	0.4264	1
Entamoeba histolytica	glycogen phosphorylase, putative	0.01	0.1395	0.3134
Echinococcus granulosus	glycogen phosphorylase	0.023	0.3511	0.3476
Trypanosoma cruzi	cytidine deaminase-like protein	0.0056	0.0695	0.1523
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.005	0.059	0.0539
Trypanosoma brucei	hypothetical protein, conserved	0.0024	0.0169	0.0274
Onchocerca volvulus		0.0028	0.0239	0.0256
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.01	0.1395	0.1337
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0032	0.03	0.0247
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0524	0.1193
Onchocerca volvulus	Glycogen phosphorylase homolog	0.023	0.3511	0.8631
Trypanosoma brucei	ISWI complex protein	0.0017	0.0058	0.001
Echinococcus granulosus	cytidine deaminase	0.0056	0.0695	0.0645
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0425	0.0997
Schistosoma mansoni	ap endonuclease	0.0019	0.0086	0.0056
Schistosoma mansoni	hypothetical protein	0.0053	0.0649	0.1054
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.005	0.059	0.0949
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.0429	0.0377
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0019	0.009	0.0063
Schistosoma mansoni	glycogen phosphorylase	0.023	0.3511	0.6118
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0384	0.09
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0189	0.0319
Trypanosoma cruzi	ribonuclease H1, putative	0.0022	0.0139	0.0202
Trichomonas vaginalis	thymidylate kinase, putative	0.008	0.1076	0.2523
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.004	0.0426	0.0883
Brugia malayi	PHD-finger family protein	0.0029	0.0257	0.0527
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0747	0.6742
Entamoeba histolytica	hypothetical protein	0.004	0.0429	0.0822
Leishmania major	ribonuclease H1, putative	0.0022	0.0139	0.0202
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0019	0.009	0.0063
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0053	0.0635	0.1029
Trypanosoma cruzi	ISWI complex protein	0.0017	0.0058	0.001
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.005	0.059	0.1274
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0054	0.0127
Trichomonas vaginalis	cytidine deaminase, putative	0.0056	0.0695	0.1631
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0524	0.1173
Mycobacterium ulcerans	cytidine deaminase	0.0056	0.0695	0.0615
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.005	0.059	0.1274
Onchocerca volvulus		0.0053	0.0649	0.1306
Brugia malayi	hypothetical protein	0.004	0.0429	0.0957
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0019	0.009	0.0036
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0086	0.0201
Echinococcus granulosus	Na+ dependent nucleoside transporter	0.0361	0.5622	0.5598
Mycobacterium tuberculosis	Probable cytidine deaminase Cdd (cytidine aminohydrolase) (cytidine nucleoside deaminase)	0.0056	0.0695	0.0632
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0067	0.0013
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0189	0.0319
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0239	0.0462
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0524	0.0472
Trypanosoma brucei	unspecified product	0.0024	0.0169	0.0274
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0018	0.0067	0.0013
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0086	0.0075
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0266	0.0623
Echinococcus multilocularis	glycogen phosphorylase	0.023	0.3511	0.3476
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0024	0.0169	0.0274
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0061	0.077	0.1267
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0575	0.1301
Onchocerca volvulus	Putative thymidylate kinase	0.008	0.1076	0.2397
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.0022	0.0139	0.054
Trypanosoma brucei	thymidylate kinase, putative	0.008	0.1076	0.2427
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0054	0.0127
Mycobacterium tuberculosis	Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase)	0.0631	1	1
Echinococcus granulosus	thymidine kinase	0.024	0.3673	0.3639
Echinococcus granulosus	zinc finger protein	0.0023	0.0161	0.0107
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.004	0.0429	0.0376
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0086	0.0075
Echinococcus multilocularis	ribonuclease H1	0.0022	0.0139	0.0086
Brugia malayi	Isocitrate dehydrogenase	0.0018	0.0067	0.0055
Toxoplasma gondii	thymidylate kinase	0.008	0.1076	1
Brugia malayi	Bromodomain containing protein	0.0042	0.0471	0.1061
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0018	0.0067	0.0023
Trichomonas vaginalis	PIKK family atypical protein kinase	0.005	0.059	0.1384
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0384	0.09
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0429	0.0664
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0747	0.0684
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0214	0.0161
Schistosoma mansoni	hypothetical protein	0.0082	0.1117	0.1881
Echinococcus multilocularis	sodium:nucleoside cotransporter 2	0.0235	0.3591	0.3556
Loa Loa (eye worm)	glycogen phosphorylase	0.023	0.3511	0.863
Schistosoma mansoni	survival motor neuron protein	0.0053	0.0649	0.1054
Entamoeba histolytica	hypothetical protein	0.004	0.0429	0.0822
Trypanosoma cruzi	ribonuclease H1, putative	0.0022	0.0139	0.0202
Giardia lamblia	Deoxynucleoside kinase	0.0369	0.5757	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0524	0.0832
Mycobacterium ulcerans	thymidine phosphorylase	0.0631	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0747	0.0667
Echinococcus multilocularis	glycogen phosphorylase	0.023	0.3511	0.3476
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0219	0.0514
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.005	0.059	0.1274
Trypanosoma brucei	RNA helicase, putative	0.0082	0.1117	0.2525
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0219	0.0514
Echinococcus multilocularis	Glycosyl transferase, family 35	0.023	0.3511	0.3476
Trichomonas vaginalis	ribonuclease H1, putative	0.0022	0.0139	0.0326
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0747	0.0697
Schistosoma mansoni	phosphoglucomutase	0.0022	0.0139	0.0151
Schistosoma mansoni	phosphoglucomutase	0.0022	0.0139	0.0151
Echinococcus multilocularis	thymidine kinase	0.024	0.3673	0.3639
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0043	0.0472	0.1108
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0266	0.0623
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0425	0.0997
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0034	0.0329	0.26
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0086	0.0201
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0018	0.0067	0.0013
Schistosoma mansoni	hypothetical protein	0.004	0.0429	0.0664
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.005	0.059	0.1274
Trichomonas vaginalis	PIKK family atypical protein kinase	0.005	0.059	0.1384
Schistosoma mansoni	hypothetical protein	0.0057	0.0712	0.1164
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0086	0.0184
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0747	0.1226
Loa Loa (eye worm)	thymidylate kinase	0.008	0.1076	0.255
Leishmania major	cytidine deaminase-like protein	0.0056	0.0695	0.1523
Onchocerca volvulus		0.0034	0.0329	0.0487
Echinococcus multilocularis	solute carrier family 28	0.0361	0.5622	0.5598
Trypanosoma cruzi	cytidine deaminase-like protein, putative	0.0056	0.0695	0.1523
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0384	0.09
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0266	0.0623
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0425	0.0997
Entamoeba histolytica	hypothetical protein	0.004	0.0429	0.0822
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0086	0.0075
Trypanosoma cruzi	UMP-CMP kinase, mitochondrial, putative	0.0031	0.0291	0.0562
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0054	0.0127
Trypanosoma cruzi	thymidylate kinase, putative	0.008	0.1076	0.2427
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0239	0.0484
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0057	0.0709	0.6366
Leishmania major	hypothetical protein, conserved	0.0031	0.0291	0.0562
Mycobacterium ulcerans	glycogen phosphorylase GlgP	0.01	0.1395	0.1321
Giardia lamblia	GTOR	0.005	0.059	0.089
Leishmania major	hypothetical protein, conserved	0.0025	0.0189	0.0319
Trypanosoma cruzi	UMP-CMP kinase, mitochondrial, putative	0.0031	0.0291	0.0562
Brugia malayi	RNase H family protein	0.0022	0.0139	0.0234
Giardia lamblia	Thymidine kinase	0.0277	0.4264	0.7367
Schistosoma mansoni	zinc finger protein	0.0017	0.0058	0.0007
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0053	0.0649	0.1505
Echinococcus multilocularis	survival motor neuron protein 1	0.0262	0.4028	0.3996
Echinococcus multilocularis	isocitrate dehydrogenase	0.0018	0.0067	0.0013
Echinococcus granulosus	ribonuclease H1	0.0022	0.0139	0.0086
Brugia malayi	follicle stimulating hormone receptor	0.0264	0.406	1
Schistosoma mansoni	hypothetical protein	0.008	0.1076	0.1808
Loa Loa (eye worm)	hypothetical protein	0.0078	0.1053	0.2494
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0747	0.0697
Echinococcus granulosus	cpg binding protein	0.0032	0.03	0.0247
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0018	0.0067	0.0031
Leishmania major	thymidine kinase, putative	0.0277	0.4264	1
Schistosoma mansoni	cpg binding protein	0.0032	0.03	0.0434
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0524	0.0472
Trypanosoma cruzi	target of rapamycin kinase 3	0.004	0.0426	0.0883
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0384	0.09
Mycobacterium tuberculosis	Probable anthranilate phosphoribosyltransferase TrpD	0.0178	0.2667	0.2618
Echinococcus multilocularis	thymidine kinase	0.024	0.3673	0.3639
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0219	0.0514
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0017	0.0054	0.0023
Brugia malayi	Bromodomain containing protein	0.0085	0.1156	0.2767
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0219	0.0514
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.004	0.0426	0.0883
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0218	0.0512
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0472	0.1044
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0325	0.0761
Mycobacterium ulcerans	thymidylate kinase	0.008	0.1076	0.0998
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0264	0.406	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0086	0.0079
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0214	0.0283
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0218	0.0512
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0189	0.1204
Echinococcus multilocularis	cytidine deaminase	0.0056	0.0695	0.0645
Trypanosoma brucei	cytidine deaminase	0.0056	0.0695	0.1523
Onchocerca volvulus		0.0056	0.0695	0.1424
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.0429	0.0377
Trichomonas vaginalis	thymidine kinase, putative	0.0277	0.4264	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0086	0.0101
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0231	0.3529	0.8676
Entamoeba histolytica	glycogenphosphorylase, putative	0.01	0.1395	0.3134
Echinococcus granulosus	concentrative Na nucleoside cotransporter	0.0361	0.5622	0.5598
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.005	0.059	0.1358
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0086	0.0019
Brugia malayi	thymidylate kinase	0.008	0.1076	0.2567
Trypanosoma brucei	thymidylate kinase, putative	0.008	0.1076	0.2427
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0189	0.0319
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0261	0.0612
Echinococcus granulosus	geminin	0.0366	0.5704	0.5681
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0086	0.0075
Trichomonas vaginalis	glycogen phosphorylase, putative	0.023	0.3511	0.8234
Entamoeba histolytica	thymidine kinase, putative	0.0277	0.4264	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0524	0.0832
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0086	0.0032
Schistosoma mansoni	thymidylate kinase	0.008	0.1076	0.1808
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0214	0.0161
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0425	0.0997
Onchocerca volvulus		0.0263	0.4045	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0068	0.0881	0.0832
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0021	0.0119	0.0153
Mycobacterium leprae	Probable anthranilate phosphoribosyltransferase TrpD	0.0178	0.2667	1
Trichomonas vaginalis	glycogen phosphorylase, putative	0.023	0.3511	0.8234
Trypanosoma cruzi	thymidine kinase, putative	0.0277	0.4264	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0747	0.0667
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0307	0.0721
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0425	0.0997
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0189	0.1204
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0067	0.0013
Brugia malayi	hypothetical protein	0.0262	0.4028	0.9921
Echinococcus multilocularis	concentrative Na+ nucleoside cotransporter	0.0361	0.5622	0.5598
Echinococcus multilocularis	geminin	0.0366	0.5704	0.5681
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0329	0.0487
Brugia malayi	RNase H family protein	0.0022	0.0139	0.0234
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0218	0.0512
Brugia malayi	Pre-SET motif family protein	0.0034	0.0329	0.0708
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0053	0.0635	0.0585
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0034	0.0329	0.0487
Onchocerca volvulus		0.0056	0.0695	0.1424
Brugia malayi	carbohydrate phosphorylase	0.023	0.3511	0.8633
Entamoeba histolytica	Thymidylate kinase, putative	0.008	0.1076	0.2369
Echinococcus multilocularis	cpg binding protein	0.0032	0.03	0.0247
Entamoeba histolytica	glycogen phosphorylase, putative	0.023	0.3511	0.8198
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0524	0.0472
Entamoeba histolytica	glycogen phosphorylase, putative	0.01	0.1395	0.3134
Brugia malayi	RNase H family protein	0.0022	0.0139	0.0234
Trypanosoma brucei	ribonuclease H1	0.0022	0.0139	0.0202
Echinococcus granulosus	survival motor neuron protein 1	0.0262	0.4028	0.3996
Trichomonas vaginalis	cytidine deaminase, putative	0.0056	0.0695	0.1631
Loa Loa (eye worm)	hypothetical protein	0.0262	0.4028	0.9921
Giardia lamblia	Glycogen phosphorylase	0.023	0.3511	0.604
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0086	0.0032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0384	0.09
Wolbachia endosymbiont of Brugia malayi	thymidylate kinase	0.008	0.1076	1
Trypanosoma brucei	ingi protein (ORF1)	0.0024	0.0169	0.0274
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0054	0.0127
Treponema pallidum	ribonuclease H (rnhA)	0.0022	0.0139	0.054
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0747	0.1646
Trichomonas vaginalis	PIKK family atypical protein kinase	0.005	0.059	0.1384
Entamoeba histolytica	hypothetical protein	0.004	0.0429	0.0822
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0019	0.009	0.0036
Echinococcus multilocularis	thymidine phosphorylase	0.0631	1	1
Mycobacterium leprae	probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK)	0.008	0.1076	0.1928
Leishmania major	thymidylate kinase-like protein	0.008	0.1076	0.2427
Echinococcus granulosus	thymidylate kinase	0.008	0.1076	0.1027
Plasmodium vivax	thymidylate kinase, putative	0.008	0.1076	1
Schistosoma mansoni	phosphoglucomutase	0.0022	0.0139	0.0151
Schistosoma mansoni	hypothetical protein	0.0366	0.5704	1
Schistosoma mansoni	glycogen phosphorylase	0.01	0.1395	0.2374
Trypanosoma cruzi	ISWI complex protein	0.0017	0.0058	0.001
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.005	0.059	0.1208
Mycobacterium tuberculosis	Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK)	0.008	0.1076	0.1015
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0037	0.0384	0.3137
Trypanosoma cruzi	thymidine kinase, putative	0.0277	0.4264	1
Leishmania major	hypothetical protein, conserved	0.0017	0.0058	0.001
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0635	0.1451
Brugia malayi	cytidine deaminase, identical	0.0056	0.0695	0.162
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0515	0.115
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0747	0.0667
Loa Loa (eye worm)	PHD-finger family protein	0.0023	0.0154	0.0249
Brugia malayi	Pre-SET motif family protein	0.0231	0.3529	0.8679
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0018	0.0067	0.0031
Brugia malayi	isocitrate dehydrogenase	0.0018	0.0067	0.0055
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0189	0.1204
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0524	0.0832
Giardia lamblia	CDC8	0.008	0.1076	0.1745
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0189	0.1204
Trypanosoma brucei	thymidine kinase	0.0277	0.4264	1
Echinococcus granulosus	solute carrier family 28	0.0361	0.5622	0.5598
Schistosoma mansoni	thymidine kinase	0.024	0.3673	0.6406
Schistosoma mansoni	thymidylate kinase	0.008	0.1076	0.1808
Entamoeba histolytica	glycogen phosphorylase, putative	0.023	0.3511	0.8198
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0054	0.0127
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0086	0.0184
Echinococcus multilocularis	zinc finger protein	0.0023	0.0161	0.0107
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0261	0.0612
Schistosoma mansoni	hypothetical protein	0.0366	0.5704	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.005	0.059	0.1274
Schistosoma mansoni	cpg binding protein	0.0032	0.03	0.0434
Echinococcus multilocularis	transfer RNA-Ile	0.024	0.3673	0.3639

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.035 uM	Compound was tested for inhibition of U-46,619 induced aggregation of human platelets	ChEMBL.	9871769
IC50 (functional)	= 0.035 uM	Compound was tested for inhibition of U-46,619 induced aggregation of human platelets	ChEMBL.	9871769
ID50 (functional)	= 4.7 mg kg-1	Compound was tested for inhibition of U-46,619 induced increase in tracheal pressure of guinea pigs	ChEMBL.	9871769
pA2 (functional)	= 9.6	Compound was tested for inhibition of U-46,619 induced contraction of isolated rabbit saphenous vein	ChEMBL.	9871769

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	9871769

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: CHEMBL28076

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 38690