TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 567.744 | Formula: C33H37N5O2S
H donors: 2 H acceptors: 2 LogP: 5.27 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: CSN1CC2(c3c1cccc3)CCN(CC2)C(=O)N[C@@H](C(=O)N(Cc1ccccc1)C)Cc1c[nH]c2c1cccc2
InChi: 1S/C33H37N5O2S/c1-36(22-24-10-4-3-5-11-24)31(39)29(20-25-21-34-28-14-8-6-12-26(25)28)35-32(40)37-18-16-33(17-19-37)23-38(41-2)30-15-9-7-13-27(30)33/h3-15,21,29,34H,16-20,22-23H2,1-2H3,(H,35,40)/t29-/m1/s1
InChiKey: ZVBLMUFWEBYUFD-GDLZYMKVSA-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
Homo sapiens	tachykinin receptor 2	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
Plasmodium vivax	hypothetical protein, conserved	0.0108	0.0129	0.5782
Schistosoma mansoni	sex comb on midleg homolog	0.0035	0.0004	0.0051
Onchocerca volvulus		0.0115	0.0142	0.1951
Echinococcus granulosus	liprin alpha 2	0.0035	0.0004	0.0041
Trichomonas vaginalis	c2h2 zinc finger protein, putative	0.0035	0.0004	0.0098
Brugia malayi	dihydrofolate reductase family protein	0.0047	0.0024	0.0715
Toxoplasma gondii	hypothetical protein	0.0108	0.0129	0.5782
Loa Loa (eye worm)	norepinephrine transporter	0.0162	0.0223	0.2345
Trypanosoma cruzi	cysteinyl-tRNA synthetase, putative	0.0084	0.0089	0.3977
Giardia lamblia	Kinesin-13	0.0035	0.0004	0.029
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0065	0.0055	0.0596
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0115	0.0143	0.0133
Loa Loa (eye worm)	thioredoxin reductase	0.0051	0.003	0.0315
Schistosoma mansoni	sex comb on midleg homolog	0.0035	0.0004	0.0051
Onchocerca volvulus		0.0084	0.0089	0.1221
Trypanosoma cruzi	hypothetical protein	0.0035	0.0004	0.0168
Schistosoma mansoni	cysteinyl-tRNA synthetase	0.0084	0.0089	0.1207
Toxoplasma gondii	kringle domain-containing protein	0.0108	0.0129	0.5782
Plasmodium falciparum	cysteine--tRNA ligase	0.0084	0.0089	0.3977
Plasmodium vivax	glutathione reductase, putative	0.0051	0.003	0.1343
Leishmania major	cysteinyl-tRNA synthetase, putative	0.0084	0.0089	0.3977
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0004	0.0039
Plasmodium vivax	thioredoxin reductase, putative	0.0051	0.003	0.1343
Onchocerca volvulus		0.0035	0.0004	0.0051
Schistosoma mansoni	hypothetical protein	0.0035	0.0004	0.0051
Loa Loa (eye worm)	glutathione reductase	0.0051	0.003	0.0315
Onchocerca volvulus		0.0452	0.0727	1
Toxoplasma gondii	cysteine-tRNA synthetase (CysRS)	0.0084	0.0089	0.3977
Plasmodium falciparum	cysteine repeat modular protein 4	0.0108	0.0129	0.5782
Brugia malayi	coiled-coil like protein 1	0.0035	0.0004	0.0114
Echinococcus multilocularis	endonuclease reverse transcriptase	0.0108	0.0129	0.1399
Brugia malayi	GCC2 and GCC3 family protein	0.0108	0.0129	0.3924
Plasmodium vivax	cysteine repeat modular protein 2, putative	0.0108	0.0129	0.5782
Mycobacterium ulcerans	undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase	0.0183	0.026	0.026
Toxoplasma gondii	aldehyde dehydrogenase	0.0065	0.0055	0.2461
Brugia malayi	GCC2 and GCC3 family protein	0.0108	0.0129	0.3924
Toxoplasma gondii	GCC2 and GCC3 domain-containing protein	0.0108	0.0129	0.5782
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0162	0.0223	0.3031
Echinococcus granulosus	thioredoxin glutathione reductase	0.0051	0.003	0.0325
Trypanosoma cruzi	Kinesin-13 5, putative	0.0035	0.0004	0.0168
Loa Loa (eye worm)	hypothetical protein	0.023	0.0341	0.3592
Schistosoma mansoni	polyhomeotic	0.0035	0.0004	0.0051
Brugia malayi	Liprin-alpha 2	0.0035	0.0004	0.0114
Onchocerca volvulus		0.0035	0.0004	0.0051
Onchocerca volvulus		0.0108	0.0129	0.1775
Trypanosoma cruzi	cysteinyl-tRNA synthetase, putative	0.0084	0.0089	0.3977
Mycobacterium ulcerans	thymidylate synthase	0.0115	0.0142	0.0142
Treponema pallidum	sodium- and chloride- dependent transporter	0.0162	0.0223	0.3554
Onchocerca volvulus		0.0253	0.0382	0.526
Entamoeba histolytica	hypothetical protein	0.0108	0.0129	1
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0223	0.2345
Trichomonas vaginalis	cgi-62, putative	0.0035	0.0004	0.0098
Giardia lamblia	Giardia trophozoite antigen GTA-1	0.0035	0.0004	0.029
Mycobacterium tuberculosis	Probable oxidoreductase	0.0128	0.0165	0.0156
Mycobacterium tuberculosis	Hypothetical protein	0.0055	0.0037	0.0028
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0115	0.0143	0.0133
Brugia malayi	Pre-SET motif family protein	0.0223	0.0329	1
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0004	0.0098
Plasmodium falciparum	thioredoxin reductase	0.0051	0.003	0.1343
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0065	0.0055	0.0055
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0108	0.0129	0.5782
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylglucosamine:LPS N-acetylglucosamine transferase	0.0183	0.026	0.1393
Schistosoma mansoni	DNAj-like protein	0.0035	0.0004	0.0051
Brugia malayi	cask-interacting protein 2	0.0035	0.0004	0.0114
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0055	0.0037	0.1662
Onchocerca volvulus		0.0035	0.0004	0.0051
Echinococcus granulosus	polyhomeotic proximal chromatin protein	0.0035	0.0004	0.0041
Echinococcus granulosus	liprin alpha 2	0.0035	0.0004	0.0041
Plasmodium vivax	protein kinase, putative	0.004	0.0012	0.0557
Mycobacterium tuberculosis	Probable UPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG	0.0134	0.0175	0.0166
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0065	0.0055	0.0596
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0065	0.0055	0.0045
Echinococcus multilocularis	thymidylate synthase	0.0115	0.0142	0.1537
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0223	0.0329	0.3459
Echinococcus granulosus	Sterile alpha motif type	0.0035	0.0004	0.0041
Schistosoma mansoni	aldehyde dehydrogenase	0.0065	0.0055	0.0747
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0162	0.0223	0.2345
Schistosoma mansoni	Protein aveugle	0.0035	0.0004	0.0051
Loa Loa (eye worm)	thymidylate synthase	0.0115	0.0142	0.1491
Schistosoma mansoni	phd finger protein	0.0035	0.0004	0.0051
Echinococcus multilocularis	Sterile alpha motif SAM	0.0035	0.0004	0.0041
Mycobacterium ulcerans	glycosyltransferase	0.0039	0.001	0.001
Schistosoma mansoni	sodium/chloride dependent transporter	0.0162	0.0223	0.3031
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0115	0.0142	0.1928
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0004	0.0039
Loa Loa (eye worm)	AIDA-1b	0.0035	0.0004	0.0039
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0047	0.0024	0.0014
Brugia malayi	thymidylate synthase	0.0115	0.0142	0.4311
Echinococcus multilocularis	sphingomyelin synthase protein 1	0.0035	0.0004	0.0041
Echinococcus granulosus	sterile alpha and tir motif containing protein	0.0035	0.0004	0.0041
Echinococcus multilocularis	cysteinyl tRNA synthetase	0.0084	0.0089	0.0962
Schistosoma mansoni	hypothetical protein	0.0108	0.0129	0.1754
Echinococcus granulosus	pdz domain containing protein	0.0035	0.0004	0.0041
Schistosoma mansoni	hypothetical protein	0.0035	0.0004	0.0051
Chlamydia trachomatis	cysteine--tRNA ligase	0.0084	0.0089	0.1473
Brugia malayi	sterile alpha and TIR motif containing protein 1 isoform a	0.0035	0.0004	0.0114
Trypanosoma cruzi	trypanothione reductase, putative	0.0051	0.003	0.1343
Brugia malayi	GCC2 and GCC3 family protein	0.0108	0.0129	0.3924
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0004	0.0039
Entamoeba histolytica	hypothetical protein	0.0108	0.0129	1
Schistosoma mansoni	ephrin receptor	0.0457	0.0736	1
Brugia malayi	glutathione reductase	0.0051	0.003	0.0911
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0115	0.0142	0.0132
Trichomonas vaginalis	set domain proteins, putative	0.0253	0.0382	1
Trichomonas vaginalis	conserved hypothetical protein	0.0055	0.0037	0.097
Loa Loa (eye worm)	toll and interleukin 1 receptor domain-containing protein isoform f	0.0035	0.0004	0.0039
Mycobacterium leprae	Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX	0.0794	0.1321	0.1313
Mycobacterium ulcerans	cysteinyl-tRNA synthetase	0.0084	0.0089	0.0089
Echinococcus multilocularis	sterile alpha and tir motif containing protein	0.0035	0.0004	0.0041
Schistosoma mansoni	aldehyde dehydrogenase	0.0065	0.0055	0.0747
Brugia malayi	Dihydrofolate reductase	0.0047	0.0024	0.0715
Entamoeba histolytica	hypothetical protein, conserved	0.0108	0.0129	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0129	0.1357
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0162	0.0223	1
Schistosoma mansoni	lip-related protein (liprin) alpha	0.0035	0.0004	0.0051
Treponema pallidum	undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase	0.0183	0.026	0.4547
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0223	0.2345
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0065	0.0055	0.2461
Onchocerca volvulus	Tankyrase homolog	0.0035	0.0004	0.0051
Onchocerca volvulus		0.0035	0.0004	0.0051
Giardia lamblia	Cysteinyl-tRNA synthetase	0.0084	0.0089	0.6878
Brugia malayi	Shank2E	0.0035	0.0004	0.0114
Brugia malayi	ephrin receptor 1 precursor	0.0218	0.0321	0.9749
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0162	0.0223	1
Echinococcus granulosus	ephrin type A receptor 4 A	0.0565	0.0923	1
Loa Loa (eye worm)	tnks protein	0.0035	0.0004	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0004	0.0039
Echinococcus multilocularis	polyhomeotic proximal chromatin protein	0.0035	0.0004	0.0041
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0065	0.0055	0.0055
Schistosoma mansoni	dihydrofolate reductase	0.0047	0.0024	0.032
Brugia malayi	hypothetical protein	0.0055	0.0037	0.1128
Onchocerca volvulus		0.0162	0.0223	0.3067
Plasmodium vivax	cysteine repeat modular protein 3, putative	0.0108	0.0129	0.5782
Plasmodium vivax	cysteine--tRNA ligase, putative	0.0084	0.0089	0.3977
Giardia lamblia	Hypothetical protein	0.0108	0.0129	1
Trypanosoma brucei	Present in the outer mitochondrial membrane proteome 24	0.0035	0.0004	0.0168
Echinococcus granulosus	sphingomyelin synthase protein 1	0.0035	0.0004	0.0041
Echinococcus multilocularis	dihydrofolate reductase	0.0047	0.0024	0.0255
Loa Loa (eye worm)	dihydrofolate reductase	0.0047	0.0024	0.0247
Echinococcus granulosus	cysteinyl tRNA synthetase	0.0084	0.0089	0.0962
Loa Loa (eye worm)	hypothetical protein	0.0452	0.0727	0.7646
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0115	0.0142	0.0132
Schistosoma mansoni	lar interacting protein (lip)-related protein	0.0035	0.0004	0.0051
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0115	0.0143	0.0133
Schistosoma mansoni	cysteinyl-tRNA synthetase	0.0084	0.0089	0.1207
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0162	0.0223	1
Plasmodium falciparum	cysteine repeat modular protein 3	0.0108	0.0129	0.5782
Brugia malayi	AIDA-1b	0.0035	0.0004	0.0114
Echinococcus granulosus	endonuclease reverse transcriptase	0.0108	0.0129	0.1399
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0162	0.0223	0.6779
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0128	0.0165	0.0156
Brugia malayi	Sphingomyelin synthase-related 1	0.0035	0.0004	0.0114
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0047	0.0024	0.0024
Plasmodium falciparum	glutathione reductase	0.0051	0.003	0.1343
Trichomonas vaginalis	cysteinyl-tRNA synthetase, putative	0.0084	0.0089	0.2322
Brugia malayi	hypothetical protein	0.0035	0.0004	0.0114
Echinococcus granulosus	Sterile alpha motif SAM	0.0035	0.0004	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0004	0.0039
Loa Loa (eye worm)	TK/EPH protein kinase	0.0581	0.0951	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0128	0.0165	0.0156
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0047	0.0024	0.0014
Brugia malayi	hypothetical protein	0.0035	0.0004	0.0114
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0128	0.0165	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0004	0.0039
Mycobacterium tuberculosis	Probable dehydrogenase	0.0115	0.0143	0.0133
Echinococcus granulosus	serotonin transporter	0.0162	0.0223	0.2417
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0129	0.1357
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0129	0.1357
Mycobacterium ulcerans	cysteinyl-tRNA synthetase	0.5791	1	1
Trypanosoma brucei	SAM domain (Sterile alpha motif), putative	0.0035	0.0004	0.0168
Plasmodium falciparum	cysteine repeat modular protein 1	0.0108	0.0129	0.5782
Loa Loa (eye worm)	cysteinyl tRNA synthetase 1	0.0084	0.0089	0.0934
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0115	0.0143	0.0133
Echinococcus granulosus	leucyl tRNA synthetase	0.0084	0.0089	0.0962
Echinococcus granulosus	polyhomeotic protein 2	0.0035	0.0004	0.0041
Leishmania major	trypanothione reductase	0.0051	0.003	0.1343
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0115	0.0143	0.0133
Echinococcus multilocularis	polyhomeotic protein 2	0.0035	0.0004	0.0041
Mycobacterium tuberculosis	Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX	0.0794	0.1321	0.1313
Wolbachia endosymbiont of Brugia malayi	phospho-N-acetylmuramoyl-pentapeptide-transferase	0.0794	0.1321	1
Mycobacterium tuberculosis	Probable reductase	0.0115	0.0143	0.0133
Echinococcus multilocularis	ephrin type A receptor 4 A	0.0565	0.0923	1
Echinococcus granulosus	polycomb protein SCMH1	0.0035	0.0004	0.0041
Echinococcus multilocularis	polycomb protein SCMH1	0.0035	0.0004	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0089	0.0934
Treponema pallidum	phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY)	0.0302	0.0466	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0065	0.0055	0.0055
Schistosoma mansoni	Protein aveugle	0.0035	0.0004	0.0051
Plasmodium falciparum	cysteine--tRNA ligase	0.0084	0.0089	0.3977
Onchocerca volvulus		0.0108	0.0129	0.1775
Toxoplasma gondii	thioredoxin reductase	0.0051	0.003	0.1343
Plasmodium vivax	hypothetical protein, conserved	0.0108	0.0129	0.5782
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0051	0.003	0.0325
Brugia malayi	cysteinyl tRNA synthetase protein 1	0.0084	0.0089	0.2699
Onchocerca volvulus		0.0035	0.0004	0.0051
Echinococcus multilocularis	liprin alpha 2	0.0035	0.0004	0.0041
Entamoeba histolytica	cysteinyl-tRNA synthetase, putative	0.0084	0.0089	0.6878
Schistosoma mansoni	spingomyelin synthetase-related	0.0035	0.0004	0.0051
Onchocerca volvulus		0.0035	0.0004	0.0051
Echinococcus granulosus	dihydrofolate reductase	0.0047	0.0024	0.0255
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0162	0.0223	1
Loa Loa (eye worm)	serotonin transporter b	0.0162	0.0223	0.2345
Trypanosoma brucei	trypanothione reductase	0.0051	0.003	0.1343
Entamoeba histolytica	protein kinase, putative	0.0108	0.0129	1
Echinococcus multilocularis	Sterile alpha motif type	0.0035	0.0004	0.0041
Entamoeba histolytica	cysteine-rich surface protein, putative	0.0108	0.0129	1
Brugia malayi	GCC2 and GCC3 family protein	0.0108	0.0129	0.3924
Plasmodium falciparum	cysteine repeat modular protein 2	0.0108	0.0129	0.5782
Echinococcus granulosus	histone acetyltransferase myst3	0.0035	0.0004	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0129	0.1357
Mycobacterium tuberculosis	Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC	0.5791	1	1
Chlamydia trachomatis	UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase	0.0183	0.026	0.535
Echinococcus multilocularis	serotonin transporter	0.0162	0.0223	0.2417
Echinococcus granulosus	thymidylate synthase	0.0115	0.0142	0.1537
Chlamydia trachomatis	phospho-N-acetylmuramoyl-pentapeptide-transferase	0.0302	0.0466	1
Giardia lamblia	CEGP1 protein	0.0108	0.0129	1
Trypanosoma cruzi	Kinesin-13 5, putative	0.0035	0.0004	0.0168
Plasmodium falciparum	conserved protein, unknown function	0.0108	0.0129	0.5782
Echinococcus multilocularis	liprin alpha 2	0.0035	0.0004	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0004	0.0039
Echinococcus multilocularis	pdz domain containing protein	0.0035	0.0004	0.0041
Brugia malayi	Thioredoxin reductase	0.0051	0.003	0.0911
Brugia malayi	bicaudal-C	0.0035	0.0004	0.0114
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0162	0.0223	1
Echinococcus multilocularis	histone acetyltransferase myst3	0.0035	0.0004	0.0041
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0051	0.003	0.002
Mycobacterium ulcerans	phospho-N-acetylmuramoyl-pentapeptide-transferase	0.0794	0.1321	0.1321
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0004	0.0039
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0162	0.0223	1
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0223	0.2345
Trypanosoma brucei	cysteinyl-tRNA synthetase, putative	0.0084	0.0089	0.3977
Mycobacterium leprae	ProbableUPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide)pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG	0.0134	0.0175	0.0166
Onchocerca volvulus		0.0035	0.0004	0.0051

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 164 nM	Inhibition of cloned human NK1 (Neurokinin 1) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined	ChEMBL.	9873524
IC50 (binding)	= 577 nM	Inhibition of cloned human NK2 (Neurokinin 2) receptor, stably expressed in chinese hamster ovary (CHO) cells was determined	ChEMBL.	9873524

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: CHEMBL2114103

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 938870