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)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=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)/t18-,19-,21-/m0/s1
InChiKey: BNVLBNKLRFEYER-ZJOUEHCJSA-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

Species	Target name	Source	Bibliographic reference
Sus scrofa	Pancreatic elastase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Drosophila melanogaster	CG18420 gene product from transcript CG18420-RA	Pancreatic elastase	269 aa	255 aa	30.6 %
Onchocerca volvulus		Pancreatic elastase	269 aa	237 aa	26.2 %
Loa Loa (eye worm)	hypothetical protein	Pancreatic elastase	269 aa	258 aa	25.6 %
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	Pancreatic elastase	269 aa	314 aa	27.1 %
Brugia malayi	Trypsin family protein	Pancreatic elastase	269 aa	257 aa	23.7 %
Echinococcus multilocularis	Mastin	Pancreatic elastase	269 aa	305 aa	29.2 %
Drosophila melanogaster	CG33458 gene product from transcript CG33458-RA	Pancreatic elastase	269 aa	255 aa	31.4 %
Drosophila melanogaster	CG31267 gene product from transcript CG31267-RA	Pancreatic elastase	269 aa	241 aa	28.6 %
Drosophila melanogaster	CG5909 gene product from transcript CG5909-RA	Pancreatic elastase	269 aa	272 aa	30.5 %
Echinococcus multilocularis	transmembrane protease serine 3	Pancreatic elastase	269 aa	236 aa	32.6 %
Drosophila melanogaster	CG11313 gene product from transcript CG11313-RC	Pancreatic elastase	269 aa	259 aa	30.5 %
Drosophila melanogaster	CG30287 gene product from transcript CG30287-RA	Pancreatic elastase	269 aa	265 aa	30.9 %
Drosophila melanogaster	CG30288 gene product from transcript CG30288-RC	Pancreatic elastase	269 aa	272 aa	31.6 %
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	Pancreatic elastase	269 aa	247 aa	36.0 %
Schistosoma mansoni	aminopeptidase PILS (M01 family)	Pancreatic elastase	269 aa	314 aa	24.8 %
Schistosoma japonicum	ko:K09639 transmembrane protease, serine 8, putative	Pancreatic elastase	269 aa	248 aa	34.7 %
Drosophila melanogaster	Jonah 65Aiii	Pancreatic elastase	269 aa	280 aa	34.6 %
Onchocerca volvulus		Pancreatic elastase	269 aa	260 aa	26.5 %
Drosophila melanogaster	CG9733 gene product from transcript CG9733-RB	Pancreatic elastase	269 aa	275 aa	32.0 %
Onchocerca volvulus		Pancreatic elastase	269 aa	253 aa	24.5 %
Drosophila melanogaster	CG31326 gene product from transcript CG31326-RA	Pancreatic elastase	269 aa	254 aa	29.9 %
Onchocerca volvulus		Pancreatic elastase	269 aa	257 aa	27.2 %
Drosophila melanogaster	CG33465 gene product from transcript CG33465-RC	Pancreatic elastase	269 aa	241 aa	22.0 %
Echinococcus multilocularis	glycoprotein Antigen 5	Pancreatic elastase	269 aa	310 aa	26.5 %
Drosophila melanogaster	CG31220 gene product from transcript CG31220-RB	Pancreatic elastase	269 aa	285 aa	30.2 %
Schistosoma japonicum	ko:K09637 transmembrane protease, serine 6, putative	Pancreatic elastase	269 aa	267 aa	31.8 %
Schistosoma japonicum	ko:K09639 transmembrane protease, serine 8, putative	Pancreatic elastase	269 aa	248 aa	34.3 %
Drosophila melanogaster	Spatzle-Processing Enzyme	Pancreatic elastase	269 aa	265 aa	30.9 %
Echinococcus granulosus	glycoprotein Antigen 5	Pancreatic elastase	269 aa	312 aa	25.6 %
Drosophila melanogaster	CG34436 gene product from transcript CG34436-RA	Pancreatic elastase	269 aa	222 aa	25.2 %
Schistosoma japonicum	ko:K01346 pancreatic elastase II [EC3.4.21.71], putative	Pancreatic elastase	269 aa	306 aa	28.1 %
Brugia malayi	hypothetical protein	Pancreatic elastase	269 aa	234 aa	23.5 %
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	Pancreatic elastase	269 aa	259 aa	32.0 %
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	Pancreatic elastase	269 aa	317 aa	27.1 %
Onchocerca volvulus		Pancreatic elastase	269 aa	242 aa	23.6 %
Drosophila melanogaster	Jonah 99Ci	Pancreatic elastase	269 aa	240 aa	30.4 %
Drosophila melanogaster	CG14990 gene product from transcript CG14990-RA	Pancreatic elastase	269 aa	264 aa	28.8 %
Drosophila melanogaster	CG4914 gene product from transcript CG4914-RA	Pancreatic elastase	269 aa	244 aa	33.6 %
Echinococcus granulosus	enteropeptidase	Pancreatic elastase	269 aa	287 aa	27.2 %
Brugia malayi	Trypsin family protein	Pancreatic elastase	269 aa	243 aa	24.7 %
Echinococcus multilocularis	enteropeptidase	Pancreatic elastase	269 aa	287 aa	26.8 %
Echinococcus granulosus	transmembrane protease serine 3	Pancreatic elastase	269 aa	236 aa	31.8 %
Drosophila melanogaster	CG3505 gene product from transcript CG3505-RA	Pancreatic elastase	269 aa	254 aa	29.9 %
Drosophila melanogaster	CG30083 gene product from transcript CG30083-RB	Pancreatic elastase	269 aa	265 aa	33.6 %
Schistosoma japonicum	Enteropeptidase, putative	Pancreatic elastase	269 aa	271 aa	29.2 %
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	Pancreatic elastase	269 aa	314 aa	27.1 %
Echinococcus granulosus	Mastin	Pancreatic elastase	269 aa	308 aa	27.6 %
Brugia malayi	Trypsin family protein	Pancreatic elastase	269 aa	231 aa	23.8 %
Drosophila melanogaster	CG13744 gene product from transcript CG13744-RA	Pancreatic elastase	269 aa	287 aa	30.7 %

Ranking Plot

Putative Targets List

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

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.

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External resources for this compound

ChEMBL: CHEMBL3143932

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1853691