TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 630.716 | Formula: C28H38N8O7S
H donors: 2 H acceptors: 9 LogP: 1.71 Rotable bonds: 19
Rule of 5 violations (Lipinski): 2
SMILES: COC(=O)CCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)CN(C(=O)Sc1nnnn1c1ccccc1)C(C)C)C)C
InChi: 1S/C28H38N8O7S/c1-17(2)35(28(42)44-27-31-32-33-36(27)20-10-7-6-8-11-20)16-22(37)21-12-9-15-34(21)26(41)19(4)30-25(40)18(3)29-23(38)13-14-24(39)43-5/h6-8,10-11,17-19,21H,9,12-16H2,1-5H3,(H,29,38)(H,30,40)
InChiKey: BNVLBNKLRFEYER-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

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
Trichomonas vaginalis	chromobox protein, putative	0.0073	0.1386	0.1548
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0071	0.1316	0.3329
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.015	0.3952	0.6372
Echinococcus granulosus	thioredoxin glutathione reductase	0.0049	0.0607	0.1535
Loa Loa (eye worm)	cytochrome P450 family protein	0.0057	0.0862	0.0862
Trypanosoma cruzi	cytochrome P450, putative	0.0057	0.0862	0.1505
Brugia malayi	conserved hypotetical protein	0.0071	0.1316	0.2121
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.015	0.3952	0.3952
Schistosoma mansoni	nuclear hormone receptor	0.015	0.3952	0.9392
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0162	0.435	1
Schistosoma mansoni	RAR-like nuclear receptor	0.015	0.3952	0.9392
Brugia malayi	photoreceptor-specific nuclear receptor	0.015	0.3952	0.6372
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0438	0.1041
Schistosoma mansoni	nuclear hormone receptor	0.0071	0.1316	0.3126
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.015	0.3952	1
Mycobacterium tuberculosis	Probable reductase	0.0113	0.2714	0.855
Brugia malayi	Nuclear hormone receptor E75	0.0071	0.1316	0.2121
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.015	0.3952	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3952	0.3952
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.015	0.3952	0.9392
Trypanosoma cruzi	trypanothione reductase, putative	0.0049	0.0607	0.0882
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0125	0.3133	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.032	0.032
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1316	0.1316
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0438	0.1041
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0079	0.1598	0.4043
Trypanosoma cruzi	cytochrome P450, putative	0.0057	0.0862	0.1505
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.015	0.3952	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.015	0.3952	0.9392
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0922	0.2661
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0922	0.219
Schistosoma mansoni	nuclear receptor	0.0071	0.1316	0.3126
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0039	0.0244	0.0562
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0071	0.1316	0.3329
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.015	0.3952	1
Brugia malayi	nuclear receptor NHR-67	0.0071	0.1316	0.2121
Echinococcus granulosus	dihydrofolate reductase	0.0047	0.0522	0.1321
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.015	0.3952	1
Chlamydia trachomatis	dihydrofolate reductase	0.0047	0.0522	0.5
Echinococcus multilocularis	chromobox protein 1	0.0073	0.1386	0.3506
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1598	0.1598
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0079	0.1598	0.3797
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0047	0.0522	0.0962
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.015	0.3952	0.3952
Brugia malayi	dihydrofolate reductase family protein	0.0047	0.0522	0.0842
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0113	0.2714	0.855
Brugia malayi	Cytochrome P450 family protein	0.0121	0.2983	0.4809
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.015	0.3952	0.6372
Brugia malayi	nuclear receptor NHR-88	0.015	0.3952	0.6372
Mycobacterium tuberculosis	Hypothetical protein	0.0055	0.0782	0.1863
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0438	0.1108
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0071	0.1316	0.1796
Onchocerca volvulus		0.0071	0.1316	0.1796
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1316	0.1316
Brugia malayi	Nuclear hormone receptor-like 1	0.0079	0.1598	0.2576
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.0922	0.2344
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0047	0.0522	0.1092
Brugia malayi	Thioredoxin reductase	0.0049	0.0607	0.0978
Brugia malayi	Dihydrofolate reductase	0.0047	0.0522	0.0842
Schistosoma mansoni	cytochrome P450	0.0039	0.0244	0.0581
Onchocerca volvulus		0.0071	0.1316	0.1796
Brugia malayi	steroid hormone receptor	0.015	0.3952	0.6372
Loa Loa (eye worm)	dihydrofolate reductase	0.0047	0.0522	0.0522
Echinococcus multilocularis	FTZ F1 alpha	0.015	0.3952	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.3952	0.3952
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1316	0.1316
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0057	0.0862	0.2428
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.015	0.3952	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0079	0.1598	0.4043
Echinococcus multilocularis	chromobox protein 1	0.0073	0.1386	0.3506
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.015	0.3952	0.6372
Loa Loa (eye worm)	CYP4Cod1	0.0057	0.0862	0.0862
Loa Loa (eye worm)	thymidylate synthase	0.0115	0.2789	0.2789
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.015	0.3952	0.3952
Plasmodium vivax	thioredoxin reductase, putative	0.0049	0.0607	0.1394
Onchocerca volvulus		0.0248	0.7204	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.015	0.3952	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.015	0.3952	0.9392
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0044	0.0423	0.0553
Loa Loa (eye worm)	cytochrome P450 family protein	0.0057	0.0862	0.0862
Loa Loa (eye worm)	nuclear hormone receptor	0.0071	0.1316	0.1316
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0922	0.2118
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.015	0.3952	0.6372
Echinococcus granulosus	FTZ F1 alpha	0.015	0.3952	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0121	0.2983	0.2983
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.032	0.0409
Brugia malayi	Nuclear hormone receptor-like 1	0.0079	0.1598	0.2576
Leishmania major	trypanothione reductase	0.0049	0.0607	0.0882
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0113	0.2714	0.855
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1316	0.1316
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0113	0.2714	0.855
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0049	0.0607	0.1535
Echinococcus granulosus	chromobox protein 1	0.0073	0.1386	0.3506
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1316	0.1316
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.015	0.3952	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.015	0.3952	0.3952
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.015	0.3952	1
Brugia malayi	Heterochromatin protein 1	0.0073	0.1386	0.2234
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.015	0.3952	0.3952
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0162	0.435	1
Echinococcus multilocularis	dihydrofolate reductase	0.0047	0.0522	0.1321
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0438	0.1041
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.015	0.3952	1
Schistosoma mansoni	dihydrofolate reductase	0.0047	0.0522	0.1241
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.015	0.3952	0.6372
Onchocerca volvulus	Protein ultraspiracle homolog	0.015	0.3952	0.547
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0113	0.2714	0.855
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0922	0.219
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0071	0.1316	0.1316
Brugia malayi	Nuclear hormone receptor E75	0.0071	0.1316	0.2121
Trypanosoma brucei	cytochrome P450, putative	0.0057	0.0862	0.1505
Echinococcus multilocularis	nuclear receptor nhr 48	0.0071	0.1316	0.3329
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0071	0.1316	0.1796
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0162	0.435	1
Mycobacterium ulcerans	thymidylate synthase	0.0115	0.2789	1
Echinococcus granulosus	chromobox protein 1	0.0073	0.1386	0.3506
Loa Loa (eye worm)	heterochromatin protein 1	0.0073	0.1386	0.1386
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.015	0.3952	0.6372
Brugia malayi	hypothetical protein	0.0127	0.3197	0.5154
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.015	0.3952	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.015	0.3952	1
Schistosoma mansoni	chromobox protein	0.0073	0.1386	0.3292
Brugia malayi	nuclear hormone receptor	0.015	0.3952	0.6372
Trichomonas vaginalis	chromobox protein, putative	0.0044	0.0423	0.015
Plasmodium vivax	glutathione reductase, putative	0.0049	0.0607	0.1394
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1598	0.1598
Trichomonas vaginalis	chromobox protein, putative	0.0073	0.1386	0.1548
Schistosoma mansoni	thyroid hormone receptor	0.015	0.3952	0.9392
Loa Loa (eye worm)	steroid hormone receptor	0.015	0.3952	0.3952
Brugia malayi	nuclear receptor NHR-88	0.0071	0.1316	0.2121
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0218	0.6203	0.6203
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1316	0.1316
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0071	0.1316	0.2121
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.015	0.3952	0.6372
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0071	0.1316	0.3329
Onchocerca volvulus		0.0115	0.2789	0.385
Schistosoma mansoni	zinc finger protein	0.0071	0.1316	0.3126
Echinococcus granulosus	thyroid hormone receptor alpha	0.0071	0.1316	0.3329
Brugia malayi	nuclear hormone receptor	0.0071	0.1316	0.2121
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0922	0.2661
Leishmania major	cytochrome p450-like protein	0.0057	0.0862	0.1505
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.015	0.3952	0.9392
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1316	0.1316
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0922	0.1649
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0049	0.0607	0.1254
Onchocerca volvulus	Bile acid receptor homolog	0.015	0.3952	0.547
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0162	0.435	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0922	0.2661
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.015	0.3952	0.3952
Loa Loa (eye worm)	hypothetical protein	0.015	0.3952	0.3952
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.015	0.3952	0.6372
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0922	0.2332
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.015	0.3952	0.6372
Brugia malayi	nuclear receptor RXR	0.0071	0.1316	0.2121
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0047	0.0522	0.0962
Echinococcus multilocularis	ecdysone induced protein 78C	0.015	0.3952	1
Brugia malayi	ecdysone receptor	0.0071	0.1316	0.2121
Loa Loa (eye worm)	DR-78	0.0071	0.1316	0.1316
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0071	0.1316	0.2121
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1598	0.1598
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0115	0.2789	0.6628
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0115	0.2789	0.881
Loa Loa (eye worm)	glutathione reductase	0.0049	0.0607	0.0607
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0438	0.1108
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0922	0.2332
Brugia malayi	Steroid receptor seven-up type 2	0.015	0.3952	0.6372
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0071	0.1316	0.1316
Loa Loa (eye worm)	hypothetical protein	0.015	0.3952	0.3952
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0079	0.1598	0.1598
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0079	0.1598	0.3797
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0438	0.0706
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.015	0.3952	1
Brugia malayi	hypothetical protein	0.0079	0.1598	0.2576
Brugia malayi	chromobox protein homolog 3	0.0041	0.032	0.0516
Trichomonas vaginalis	set domain proteins, putative	0.0248	0.7204	1
Brugia malayi	Cytochrome P450 family protein	0.0057	0.0862	0.139
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0438	0.1108
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0438	0.0438
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1316	0.1316
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1316	0.1316
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0071	0.1316	0.3329
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1598	0.1598
Brugia malayi	hypothetical protein	0.0071	0.1316	0.2121
Loa Loa (eye worm)	hypothetical protein	0.015	0.3952	0.3952
Brugia malayi	hypothetical protein	0.0079	0.1598	0.2576
Brugia malayi	Cytochrome P450 family protein	0.0039	0.0244	0.0394
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.015	0.3952	0.6372
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0071	0.1316	0.3329
Brugia malayi	orphan nuclear receptor NR2E1	0.0071	0.1316	0.2121
Toxoplasma gondii	thioredoxin reductase	0.0049	0.0607	0.1394
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.015	0.3952	1
Brugia malayi	ecdysteroid receptor	0.015	0.3952	0.6372
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0071	0.1316	0.3329
Brugia malayi	hypothetical protein	0.0071	0.1316	0.2121
Brugia malayi	cytochrome P450	0.0039	0.0244	0.0394
Brugia malayi	nuclear receptor RXR	0.0079	0.1598	0.2576
Brugia malayi	hypothetical protein	0.0055	0.0782	0.1261
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1598	0.1598
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.015	0.3952	0.3952
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0027	0.0027
Loa Loa (eye worm)	thioredoxin reductase	0.0049	0.0607	0.0607
Schistosoma mansoni	thyroid hormone receptor	0.015	0.3952	0.9392
Brugia malayi	Nuclear hormone receptor-like 1	0.015	0.3952	0.6372
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0071	0.1316	0.3126
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0162	0.435	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.015	0.3952	0.6372
Brugia malayi	nuclear hormone receptor family member odr-7	0.0071	0.1316	0.2121
Schistosoma mansoni	hypothetical protein	0.0054	0.0761	0.1808
Onchocerca volvulus		0.015	0.3952	0.547
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1316	0.1316
Onchocerca volvulus		0.0043	0.0397	0.0516
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0125	0.3133	1
Schistosoma mansoni	nuclear hormone receptor	0.0071	0.1316	0.3126
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1316	0.1316
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.015	0.3952	0.9392
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0055	0.0782	0.1311
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0162	0.435	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.015	0.3952	0.9392
Schistosoma mansoni	coup transcription factor	0.015	0.3952	0.9392
Echinococcus granulosus	thymidylate synthase	0.0115	0.2789	0.7058
Schistosoma mansoni	nuclear receptor	0.0071	0.1316	0.3126
Trichomonas vaginalis	conserved hypothetical protein	0.0055	0.0782	0.0672
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0071	0.1316	0.3329
Echinococcus granulosus	nuclear receptor nhr 48	0.0071	0.1316	0.3329
Mycobacterium tuberculosis	Probable dehydrogenase	0.0113	0.2714	0.855
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.015	0.3952	0.9392
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0438	0.1108
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0071	0.1316	0.3329
Schistosoma mansoni	nuclear receptor nhr-48	0.0071	0.1316	0.3126
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.015	0.3952	0.6372
Schistosoma mansoni	hypothetical protein	0.0039	0.0244	0.0581
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0071	0.1316	0.3126
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.015	0.3952	0.547
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1316	0.1316
Brugia malayi	tailless protein	0.0071	0.1316	0.2121
Echinococcus granulosus	cytochrome P450 2K1	0.0039	0.0244	0.0618
Brugia malayi	Cytochrome P450 family protein	0.0057	0.0862	0.139
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0125	0.3133	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0113	0.2714	0.855
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0071	0.1316	0.3329
Trypanosoma brucei	trypanothione reductase	0.0049	0.0607	0.0882
Echinococcus granulosus	ecdysone induced protein 78C	0.015	0.3952	1
Echinococcus multilocularis	thymidylate synthase	0.0115	0.2789	0.7058
Loa Loa (eye worm)	hypothetical protein	0.015	0.3952	0.3952
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1316	0.1316
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0043	0.0397	0.0943
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0115	0.2789	0.881
Trichomonas vaginalis	chromobox protein, putative	0.0044	0.0423	0.015
Brugia malayi	Pre-SET motif family protein	0.0218	0.6203	1
Brugia malayi	glutathione reductase	0.0049	0.0607	0.0978
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.015	0.3952	0.6372
Loa Loa (eye worm)	hypothetical protein	0.015	0.3952	0.3952
Brugia malayi	thymidylate synthase	0.0115	0.2789	0.4497
Mycobacterium tuberculosis	Probable oxidoreductase	0.0125	0.3133	1
Loa Loa (eye worm)	cytochrome P450	0.0039	0.0244	0.0244
Echinococcus multilocularis		0.0039	0.0244	0.0618
Schistosoma mansoni	retinoic acid receptor RXR	0.015	0.3952	0.9392
Loa Loa (eye worm)	hypothetical protein	0.015	0.3952	0.3952
Schistosoma mansoni	chromobox protein	0.0073	0.1386	0.3292

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 2.4 uM	Compound is evaluated for the inhibition of porcine pancreatic (PP) elastase	ChEMBL.	3637247

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: 150510

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 47472