TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 1084.35 | Formula: C52H77N9O12S2
H donors: 8 H acceptors: 10 LogP: 3.5 Rotable bonds: 41
Rule of 5 violations (Lipinski): 3
SMILES: CSCC[C@H](C(=O)OC)NC(=O)C(CC(C)C)SCCNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)CCC(=O)N)CCC(=O)N)Cc1ccccc1)Cc1ccccc1
InChi: 1S/C52H77N9O12S2/c1-32(2)29-41(49(69)58-37(24-27-74-7)50(70)72-6)75-28-25-55-44(64)38(30-33-15-10-8-11-16-33)59-47(67)39(31-34-17-12-9-13-18-34)60-46(66)35(20-22-42(53)62)56-45(65)36(21-23-43(54)63)57-48(68)40-19-14-26-61(40)51(71)73-52(3,4)5/h8-13,15-18,32,35-41H,14,19-31H2,1-7H3,(H2,53,62)(H2,54,63)(H,55,64)(H,56,65)(H,57,68)(H,58,69)(H,59,67)(H,60,66)/t35-,36-,37+,38-,39+,40-,41?/m0/s1
InChiKey: UWWMBDDOPQIHCK-DJOCTWBZSA-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
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0076	0.1841	0.336
Schistosoma mansoni	glucose transport protein	0.0114	0.3202	0.5175
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0017	0.0021
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0066	0.1459	0.2342
Schistosoma mansoni	glucose transport protein	0.0114	0.3202	0.5175
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0076	0.1841	0.2185
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0192	0.0228
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0066	0.1459	0.2656
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0066	0.1459	0.1732
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0066	0.1459	0.1732
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0066	0.1459	0.1732
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0114	0.3202	0.5868
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	1	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0192	0.0228
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0114	0.3202	0.2958
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0031	0.0192	0.0208
Mycobacterium tuberculosis	Probable reductase	0.0125	0.3603	0.7608
Echinococcus granulosus	transcription factor Dp 1	0.0044	0.067	0.1203
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0328	0.0389
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0066	0.1459	0.2342
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0066	0.1459	0.2656
Schistosoma mansoni	nuclear receptor	0.0031	0.0192	0.0284
Loa Loa (eye worm)	thioredoxin reductase	0.0055	0.1052	0.1249
Onchocerca volvulus		0.0031	0.0192	0.1054
Echinococcus granulosus	ecdysone induced protein 78C	0.0066	0.1459	0.2656
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0192	0.0228
Echinococcus multilocularis	ecdysone induced protein 78C	0.0066	0.1459	0.2342
Trypanosoma brucei	trypanothione reductase	0.0055	0.1052	0.4727
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0066	0.1459	0.1715
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0066	0.1459	0.1715
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0192	0.0228
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0066	0.1459	0.1715
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0031	0.0192	0.0284
Brugia malayi	hypothetical protein	0.0035	0.0328	0.0369
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0066	0.1459	0.2656
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0076	0.1841	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0035	0.0328	0.0504
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0066	0.1459	0.1715
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0031	0.0192	0.0322
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0125	0.3603	0.7608
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0066	0.1459	0.1732
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1459	0.1732
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0066	0.1459	0.2342
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0066	0.1459	0.2342
Schistosoma mansoni	glucose transport protein	0.0114	0.3202	0.5175
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0031	0.0192	0.1054
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0091	0.2389	0.3855
Loa Loa (eye worm)	sugar transporter	0.0114	0.3202	0.3801
Brugia malayi	nuclear receptor NHR-88	0.0031	0.0192	0.0208
Brugia malayi	photoreceptor-specific nuclear receptor	0.0066	0.1459	0.1715
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1459	0.1732
Echinococcus multilocularis	transcription factor Dp 1	0.0044	0.067	0.1061
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	1	1
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0147	0.4405	1
Echinococcus granulosus	General substrate transporter	0.0098	0.2619	0.4795
Schistosoma mansoni	hypothetical protein	0.0035	0.0346	0.0533
Loa Loa (eye worm)	glutathione reductase	0.0055	0.1052	0.1249
Plasmodium falciparum	hexose transporter	0.0114	0.3202	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0066	0.1459	0.2342
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0031	0.0192	0.0208
Echinococcus granulosus	nuclear receptor nhr 48	0.0031	0.0192	0.0322
Echinococcus granulosus	thyroid hormone receptor alpha	0.0031	0.0192	0.0322
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0301	1	1
Echinococcus granulosus	jun protein	0.0091	0.2389	0.4371
Brugia malayi	ecdysteroid receptor	0.0066	0.1459	0.1715
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0066	0.1459	0.1732
Schistosoma mansoni	thyroid hormone receptor	0.0195	0.617	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0031	0.0192	0.0284
Brugia malayi	nuclear hormone receptor	0.0031	0.0192	0.0208
Trypanosoma cruzi	trypanothione reductase, putative	0.0055	0.1052	0.4727
Schistosoma mansoni	nuclear hormone receptor	0.0031	0.0192	0.0284
Brugia malayi	Thioredoxin reductase	0.0055	0.1052	0.1231
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0076	0.1841	0.2963
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0114	0.3202	0.5175
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0066	0.1459	0.2656
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0066	0.1459	0.2342
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0035	0.0328	0.0504
Loa Loa (eye worm)	nuclear hormone receptor	0.0031	0.0192	0.0228
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0175	0.5443	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0139	0.411	0.6318
Mycobacterium tuberculosis	Probable oxidoreductase	0.0139	0.411	0.9119
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0035	0.0328	0.0504
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0031	0.0192	0.0322
Brugia malayi	Sugar transporter family protein	0.0114	0.3202	0.3788
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0066	0.1459	0.1715
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0192	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0192	0.0228
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0114	0.3202	0.5175
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0192	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0328	0.0389
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0328	0.0389
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0066	0.1459	0.2342
Brugia malayi	nuclear receptor NHR-67	0.0031	0.0192	0.0208
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0257	0.8423	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0066	0.1459	0.1715
Loa Loa (eye worm)	steroid hormone receptor	0.0066	0.1459	0.1732
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0066	0.1459	0.1715
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0141	0.4177	0.676
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	1	1
Brugia malayi	hypothetical protein	0.0072	0.1674	0.1971
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0031	0.0192	0.1054
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0192	0.0228
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0076	0.1841	1
Brugia malayi	bZIP transcription factor family protein	0.0091	0.2389	0.2821
Schistosoma mansoni	hypothetical protein	0.0114	0.3202	0.5175
Schistosoma mansoni	hypothetical protein	0.013	0.3773	0.6104
Brugia malayi	Nuclear hormone receptor E75	0.0031	0.0192	0.0208
Onchocerca volvulus		0.0031	0.0192	0.1054
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0066	0.1459	0.2656
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1459	0.1732
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0076	0.1841	0.2169
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0192	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0192	0.0228
Mycobacterium tuberculosis	Probable dehydrogenase	0.0125	0.3603	0.7608
Onchocerca volvulus	Bile acid receptor homolog	0.0066	0.1459	0.8697
Leishmania major	trypanothione reductase	0.0055	0.1052	0.4727
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0328	0.0389
Brugia malayi	nuclear hormone receptor	0.0066	0.1459	0.1715
Brugia malayi	hypothetical protein	0.0031	0.0192	0.0208
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0066	0.1459	0.2342
Schistosoma mansoni	hypothetical protein	0.0074	0.1766	0.2841
Loa Loa (eye worm)	hypothetical protein	0.0089	0.2298	0.2728
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0076	0.1841	0.2963
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0192	0.0228
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0066	0.1459	0.2656
Schistosoma mansoni	coup transcription factor	0.0066	0.1459	0.2342
Schistosoma mansoni	RAR-like nuclear receptor	0.0066	0.1459	0.2342
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0031	0.0192	0.0322
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0147	0.4405	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0031	0.0192	0.0284
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0114	0.3202	0.5868
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0125	0.3603	0.7608
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0066	0.1459	0.2342
Brugia malayi	hypothetical protein	0.0035	0.0346	0.039
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0066	0.1459	0.1715
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0192	0.0228
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0066	0.1459	0.1715
Brugia malayi	conserved hypotetical protein	0.0031	0.0192	0.0208
Onchocerca volvulus		0.0066	0.1459	0.8697
Echinococcus multilocularis	FTZ F1 alpha	0.0066	0.1459	0.2342
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0066	0.1459	0.2342
Onchocerca volvulus	Protein ultraspiracle homolog	0.0066	0.1459	0.8697
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0017	0.0021
Brugia malayi	hypothetical protein	0.0031	0.0192	0.0208
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0114	0.3202	0.5175
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0066	0.1459	0.1715
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0114	0.3202	0.5175
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0147	0.4405	0.5
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0017	0.0021
Brugia malayi	nuclear receptor NHR-88	0.0066	0.1459	0.1715
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0066	0.1459	0.1715
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	1	1
Brugia malayi	nuclear receptor RXR	0.0031	0.0192	0.0208
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	1	1
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.013	0.3773	0.6104
Brugia malayi	tailless protein	0.0031	0.0192	0.0208
Onchocerca volvulus		0.0072	0.1674	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0066	0.1459	0.1715
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0035	0.0328	0.0389
Brugia malayi	orphan nuclear receptor NR2E1	0.0031	0.0192	0.0208
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0139	0.411	0.9119
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0328	0.0389
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0139	0.411	0.9119
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0031	0.0192	0.0228
Brugia malayi	ecdysone receptor	0.0031	0.0192	0.0208
Echinococcus multilocularis	General substrate transporter	0.0098	0.2619	0.4229
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0192	0.0228
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0114	0.3202	0.5868
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0066	0.1459	0.2342
Schistosoma mansoni	zinc finger protein	0.0031	0.0192	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1459	0.1732
Treponema pallidum	fructose-bisphosphate aldolase	0.0301	1	0.5
Schistosoma mansoni	jun-related protein	0.0074	0.1766	0.2841
Schistosoma mansoni	nuclear hormone receptor	0.0031	0.0192	0.0284
Schistosoma mansoni	nuclear receptor	0.0031	0.0192	0.0284
Brugia malayi	glutathione reductase	0.0055	0.1052	0.1231
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0195	0.617	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0035	0.0328	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1459	0.1732
Schistosoma mansoni	nuclear hormone receptor	0.0066	0.1459	0.2342
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0066	0.1459	0.2342
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0125	0.3603	0.7608
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0031	0.0192	0.0284
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0031	0.0192	0.0284
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0035	0.0328	0.0572
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0055	0.1052	0.1682
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0031	0.0192	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1459	0.1732
Brugia malayi	Nuclear hormone receptor E75	0.0031	0.0192	0.0208
Brugia malayi	Steroid receptor seven-up type 2	0.0066	0.1459	0.1715
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0031	0.0192	0.0322
Brugia malayi	nuclear hormone receptor family member odr-7	0.0031	0.0192	0.0208
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0066	0.1459	0.1715
Brugia malayi	Nuclear hormone receptor-like 1	0.0035	0.0328	0.0369
Toxoplasma gondii	facilitative glucose transporter GT1	0.0114	0.3202	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0125	0.3603	0.7608
Brugia malayi	follicle stimulating hormone receptor	0.0257	0.8423	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0114	0.3202	0.5868
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0175	0.5443	0.8819
Echinococcus granulosus	thioredoxin glutathione reductase	0.0055	0.1052	0.1907
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0066	0.1459	0.8697
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0066	0.1459	0.1715
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0066	0.1459	0.2342
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.013	0.3773	0.6921
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0066	0.1459	0.1732
Echinococcus granulosus	FTZ F1 alpha	0.0066	0.1459	0.2656
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0076	0.1841	0.1549
Echinococcus multilocularis	jun protein	0.0091	0.2389	0.3855
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0066	0.1459	0.1732
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0346	0.0533
Echinococcus multilocularis	nuclear receptor nhr 48	0.0031	0.0192	0.0284
Schistosoma mansoni	thyroid hormone receptor	0.0195	0.617	1
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0346	0.0533
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0031	0.0192	0.0284
Plasmodium vivax	hexose transporter	0.0114	0.3202	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0031	0.0192	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1459	0.1732
Brugia malayi	nuclear receptor RXR	0.0035	0.0328	0.0369
Giardia lamblia	Fructose-bisphosphate aldolase	0.0301	1	0.5
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0076	0.1841	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0346	0.0605
Loa Loa (eye worm)	DR-78	0.0031	0.0192	0.0228
Brugia malayi	hypothetical protein	0.0035	0.0328	0.0369
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0076	0.1841	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0091	0.2389	0.4371
Brugia malayi	steroid hormone receptor	0.0066	0.1459	0.1715
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1459	0.1732

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	< 2 dose ratio	In vitro inhibition of substance P induced contractions of the guinea pig ileum at 5 uM.	ChEMBL.	2433443
Activity (binding)	< 2 dose ratio	In vitro inhibition of substance P (6-11) hexapeptide induced contractions of the guinea pig ileum at 5 uM.	ChEMBL.	2433443
Activity (binding)	< 2 dose ratio	In vitro inhibition of substance P induced contractions of the guinea pig ileum at 10 uM.	ChEMBL.	2433443
Activity (binding)	< 2 dose ratio	In vitro inhibition of substance P (6-11) hexapeptide induced contractions of the guinea pig ileum at 10 uM.	ChEMBL.	2433443
Change in amplitude response (functional)	= -80 %	Antagonistic activity of the compound against Substance P(6-11) receptor in rat spinal cord at concentration of 50 uM.	ChEMBL.	2433443
Change in amplitude response (functional)	= -62 %	Antagonistic activity of the compound against Substance P receptor in rat spinal cord at concentration of 50 uM.	ChEMBL.	2433443
Change in amplitude response (functional)	= -50 %	Antagonistic activity of the compound against Glutamate receptor in rat spinal cord at concentration of 50 uM.	ChEMBL.	2433443
Change in amplitude response (functional)	= -7 %	Antagonistic activity of the compound against Substance P(6-11) receptor in rat spinal cord at concentration of 5 uM.	ChEMBL.	2433443
Change in amplitude response (functional)	= 42 %	Antagonistic activity of the compound against Substance P receptor in rat spinal cord at concentration of 5 uM.	ChEMBL.	2433443

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: CHEMBL2304121

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 1698852