TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 443.559 | Formula: C23H29N3O4S
H donors: 1 H acceptors: 3 LogP: 1.36 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1CCC2(CC1)CN(c1c2cccc1)S(=O)(=O)C)C(COCc1ccccc1)N
InChi: 1S/C23H29N3O4S/c1-31(28,29)26-17-23(19-9-5-6-10-21(19)26)11-13-25(14-12-23)22(27)20(24)16-30-15-18-7-3-2-4-8-18/h2-10,20H,11-17,24H2,1H3
InChiKey: KYGJZARUWQDKNA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	tachykinin receptor 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04224 tachykinin receptor 3, putative	Get druggable targets OG5_137770	All targets in OG5_137770

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	Nuclear hormone receptor family member nhr 41	0.001	0.0206	0.0206
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0206	0.029
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.2396	0.7583
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0014	0.0371	0.0304
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0034	0.1302	0.3485
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.2396	0.2396
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0206	0.0206
Onchocerca volvulus		0.0046	0.1821	0.3965
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0032	0.1218	0.3379
Onchocerca volvulus		0.0014	0.0371	0.0405
Entamoeba histolytica	protein kinase domain containing protein	0.0101	0.4277	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.1856	0.1856
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0206	0.0206
Trichomonas vaginalis	conserved hypothetical protein	0.0073	0.3041	0.6835
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.2396	0.7583
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0206	0.0206
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0206	0.0206
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0206	0.0206
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0101	0.4277	0.4277
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0014	0.0371	0.0371
Brugia malayi	nuclear hormone receptor	0.001	0.0206	0.0206
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0014	0.0371	0.0371
Trypanosoma brucei	monoglyceride lipase, putative	0.0073	0.3041	0.6835
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0206	0.0206
Giardia lamblia	Kinase, CMGC GSK	0.0101	0.4277	0.5
Loa Loa (eye worm)	hypothetical protein	0.0046	0.1821	0.1821
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0206	0.0206
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0206	0.029
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0046	0.1821	0.371
Onchocerca volvulus		0.0047	0.1856	0.4052
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0073	0.3041	0.6835
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0206	0.0206
Trichomonas vaginalis	CMGC family protein kinase	0.0101	0.4277	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0206	0.0206
Onchocerca volvulus		0.0014	0.0371	0.0405
Mycobacterium tuberculosis	Possible lysophospholipase	0.0073	0.3041	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0206	0.0206
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0034	0.1302	0.5
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0206	0.0206
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0032	0.1218	0.3379
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0371	0.0304
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0101	0.4277	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.2396	0.2396
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0014	0.0371	0.0304
Echinococcus multilocularis	geminin	0.0164	0.71	0.71
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0206	0.029
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0206	0.0206
Entamoeba histolytica	hypothetical protein	0.0035	0.1326	0.2443
Leishmania major	4-coumarate:coa ligase-like protein	0.0046	0.1821	0.371
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0206	0.029
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0206	0.0206
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0371	0.0371
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0046	0.1821	0.5428
Trypanosoma brucei	protein kinase, putative	0.0101	0.4277	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0371	0.0304
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0206	0.0206
Loa Loa (eye worm)	hypothetical protein	0.001	0.0206	0.0206
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0371	0.0371
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0206	0.0206
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1748	0.2462
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1302	0.1302
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0101	0.4277	0.4277
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0206	0.0206
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1302	0.1302
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.1748	0.1748
Brugia malayi	hypothetical protein	0.0035	0.1326	0.1326
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1302	0.1302
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0371	0.0304
Plasmodium vivax	acyl-CoA synthetase, putative	0.0034	0.1302	0.2382
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0032	0.1218	0.3379
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0073	0.3041	0.6835
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0206	0.0206
Loa Loa (eye worm)	hypothetical protein	0.001	0.0206	0.0206
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.1748	0.1748
Schistosoma mansoni	acetyl-CoA synthetase	0.0014	0.0371	0.0523
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.1748	0.1748
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0206	0.029
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0206	0.0206
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.2396	0.7583
Brugia malayi	ecdysteroid receptor	0.001	0.0206	0.0206
Brugia malayi	AMP-binding enzyme family protein	0.0046	0.1821	0.1821
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	0.0073	0.3041	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.2396	0.3375
Loa Loa (eye worm)	oxidoreductase	0.0014	0.0371	0.0371
Plasmodium falciparum	lysophospholipase, putative	0.0073	0.3041	0.6835
Brugia malayi	intracellular kinase	0.0101	0.4277	0.4277
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0206	0.029
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0371	0.0371
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0014	0.0371	0.0371
Schistosoma mansoni	survival motor neuron protein	0.0047	0.1856	0.2614
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0101	0.4277	0.4277
Mycobacterium ulcerans	lysophospholipase	0.0073	0.3041	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0206	0.029
Trypanosoma brucei	monoglyceride lipase, putative	0.0073	0.3041	0.6835
Mycobacterium ulcerans	acyl-CoA synthetase	0.0046	0.1821	0.5428
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0206	0.0206
Trichomonas vaginalis	CMGC family protein kinase	0.0101	0.4277	1
Schistosoma mansoni	coup transcription factor	0.001	0.0206	0.029
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0206	0.0206
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0206	0.0206
Loa Loa (eye worm)	hypothetical protein	0.0046	0.1821	0.1821
Entamoeba histolytica	hypothetical protein	0.0035	0.1326	0.2443
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.1748	0.1748
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.1748	0.1748
Loa Loa (eye worm)	hypothetical protein	0.0046	0.1821	0.1821
Giardia lamblia	Kinase, CMGC GSK	0.0101	0.4277	0.5
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0046	0.1821	0.5428
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0371	0.0371
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0014	0.0371	0.0304
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1748	0.2462
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0101	0.4277	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0206	0.0206
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0371	0.0371
Leishmania major	4-coumarate:coa ligase-like protein	0.0046	0.1821	0.371
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0073	0.3041	0.6835
Trichomonas vaginalis	conserved hypothetical protein	0.0073	0.3041	0.6835
Leishmania major	4-coumarate:coa ligase-like protein	0.0046	0.1821	0.371
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0046	0.1821	0.5428
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0046	0.1821	0.5428
Echinococcus multilocularis	survival motor neuron protein 1	0.0229	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0046	0.1821	0.1821
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0206	0.0206
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.1326	0.1867
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0014	0.0371	0.0371
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.1326	0.1326
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0206	0.0206
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0206	0.029
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0206	0.0206
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0371	0.0304
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.1326	0.1326
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0206	0.0206
Plasmodium falciparum	acyl-CoA synthetase	0.0034	0.1302	0.2382
Onchocerca volvulus		0.0014	0.0371	0.0405
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0101	0.4277	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0206	0.0206
Mycobacterium ulcerans	acyl-CoA synthetase	0.0046	0.1821	0.5428
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0014	0.0371	0.0371
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0046	0.1821	0.5428
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0014	0.0371	0.0304
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.2396	0.3375
Entamoeba histolytica	hypothetical protein	0.0035	0.1326	0.2443
Echinococcus granulosus	survival motor neuron protein 1	0.0229	1	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0206	0.0206
Schistosoma mansoni	hypothetical protein	0.0047	0.1856	0.2614
Schistosoma mansoni	hypothetical protein	0.0164	0.71	1
Echinococcus multilocularis	protein kinase shaggy	0.0101	0.4277	0.4277
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0206	0.0206
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0073	0.3041	0.6835
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0073	0.3041	0.6835
Entamoeba histolytica	hypothetical protein	0.0035	0.1326	0.2443
Plasmodium falciparum	lysophospholipase, putative	0.0073	0.3041	0.6835
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0073	0.3041	0.6835
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0014	0.0371	0.0304
Loa Loa (eye worm)	hypothetical protein	0.001	0.0206	0.0206
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0371	0.0371
Schistosoma mansoni	hypothetical protein	0.0164	0.71	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0206	0.0206
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0206	0.029
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0046	0.1821	0.371
Plasmodium vivax	PST-A protein	0.0073	0.3041	0.6835
Loa Loa (eye worm)	hypothetical protein	0.001	0.0206	0.0206
Echinococcus granulosus	protein kinase shaggy	0.0101	0.4277	0.4277
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.2396	0.5184
Plasmodium falciparum	glycogen synthase kinase 3	0.0101	0.4277	1
Brugia malayi	nuclear receptor NHR-88	0.001	0.0206	0.0206
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0206	0.029
Brugia malayi	AMP-binding enzyme family protein	0.0046	0.1821	0.1821
Brugia malayi	steroid hormone receptor	0.001	0.0206	0.0206
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1302	0.1302
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0101	0.4277	0.4277
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0073	0.3041	0.6835
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0206	0.0206
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.2396	0.7657
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0014	0.0371	0.0304
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0014	0.0371	0.0304
Onchocerca volvulus		0.0017	0.0538	0.0816
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.1748	0.2462
Entamoeba histolytica	protein kinase, putative	0.0101	0.4277	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0206	0.0206
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0046	0.1821	0.5567
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0206	0.0206
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0032	0.1218	0.3379
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0206	0.0206
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0101	0.4277	1
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0101	0.4277	0.6024
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0206	0.0206
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0206	0.0206
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0206	0.0206
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0206	0.029
Schistosoma mansoni	hypothetical protein	0.0035	0.1326	0.1867
Onchocerca volvulus		0.0101	0.4277	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0206	0.0206
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.2396	0.5184
Loa Loa (eye worm)	hypothetical protein	0.001	0.0206	0.0206
Trypanosoma cruzi	monoglyceride lipase, putative	0.0073	0.3041	0.6835
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0206	0.0206
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0073	0.3041	0.6835
Loa Loa (eye worm)	hypothetical protein	0.0229	1	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0046	0.1821	0.5428
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0046	0.1821	0.5567
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0034	0.1302	0.3683
Plasmodium falciparum	lysophospholipase, putative	0.0073	0.3041	0.6835
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0206	0.0206
Mycobacterium ulcerans	hypothetical protein	0.0046	0.1821	0.5428
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.1748	0.1748
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0014	0.0371	0.0371
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0206	0.0206
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0206	0.0206
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0206	0.0206
Leishmania major	monoglyceride lipase, putative	0.0073	0.3041	0.6835
Echinococcus granulosus	geminin	0.0164	0.71	0.71
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0206	0.029
Mycobacterium ulcerans	acyl-CoA synthetase	0.0046	0.1821	0.5428
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0206	0.0206
Entamoeba histolytica	acyl-coA synthetase, putative	0.0046	0.1821	0.371
Plasmodium falciparum	esterase, putative	0.0073	0.3041	0.6835
Mycobacterium ulcerans	hypothetical protein	0.0073	0.3041	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1302	0.1302
Entamoeba histolytica	protein kinase domain containing protein	0.0101	0.4277	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2000 nM	Ability to displace [125I]-substance P from hNK1 receptor in chinese hamster ovarian (CHO) cells	ChEMBL.	9873445
IC50 (binding)	= 2000 nM	Ability to displace [125I]-substance P from hNK1 receptor in chinese hamster ovarian (CHO) cells	ChEMBL.	9873445

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

No external resources registered for this compound

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 81513