TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 392.901 | Formula: C22H17ClN2OS
H donors: 2 H acceptors: 1 LogP: 5.48 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: S=C(Nc1ccc(cc1)Cl)Nc1ccc(cc1)C(=O)/C=C/c1ccccc1
InChi: 1S/C22H17ClN2OS/c23-18-9-13-20(14-10-18)25-22(27)24-19-11-7-17(8-12-19)21(26)15-6-16-4-2-1-3-5-16/h1-15H,(H2,24,25,27)/b15-6+
InChiKey: HHEHSVKCSSGSDY-GIDUJCDVSA-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
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0207	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0457	0.2911	0.2911
Brugia malayi	SEA domain containing protein	0.0026	0.0051	0.0051
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0026	0.0051	0.0516
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0149	0.0871	0.1492
Plasmodium vivax	subtilisin-like protease 2, putative	0.0037	0.0127	0.5
Loa Loa (eye worm)	endoprotease bli-4	0.0865	0.562	0.562
Echinococcus granulosus	integrin alpha ps	0.0271	0.1677	0.2273
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.0059	0.0275	0.1992
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0024	0.0041	0.0385
Brugia malayi	hypothetical protein	0.0039	0.014	0.014
Toxoplasma gondii	subtilisin SUB11	0.0037	0.0127	0.0925
Schistosoma mansoni	cercarial elastase (S01 family)	0.0039	0.014	0.024
Brugia malayi	ADAM-TS Spacer 1 family protein	0.0025	0.0049	0.0049
Echinococcus multilocularis	membrane bound transcription factor site 1	0.0037	0.0127	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0207	0.0207
Schistosoma mansoni	cercarial elastase (S01 family)	0.0039	0.014	0.024
Toxoplasma gondii	subtilisin SUB5	0.0037	0.0127	0.0925
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0026	0.0051	0.1548
Trichomonas vaginalis	hypothetical protein	0.0049	0.0207	0.0249
Echinococcus multilocularis	subfamily M12B unassigned peptidase	0.0043	0.0168	0.0227
Loa Loa (eye worm)	subtilase	0.0037	0.0127	0.0127
Echinococcus granulosus	fibrillin 2	0.0049	0.0207	0.0281
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0026	0.0051	0.1548
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0526	0.3369	1
Leishmania major	oligopeptidase b	0.0059	0.0275	0.1992
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0026	0.0051	0.1548
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0024	0.0041	0.1175
Trypanosoma cruzi	oligopeptidase b	0.0059	0.0275	0.1992
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3)	0.0037	0.0127	0.152
Loa Loa (eye worm)	hypothetical protein	0.0232	0.1419	0.1419
Toxoplasma gondii	hypothetical protein	0.0049	0.0207	0.191
Schistosoma mansoni	hypothetical protein	0.0039	0.014	0.024
Schistosoma mansoni	hypothetical protein	0.0054	0.0238	0.0408
Schistosoma mansoni	cercarial elastase (S01 family)	0.0039	0.014	0.024
Trichomonas vaginalis	conserved hypothetical protein	0.0167	0.0991	0.2667
Loa Loa (eye worm)	integrin beta-2	0.1526	1	1
Plasmodium vivax	subtilisin-like serine protease, putative	0.0037	0.0127	0.5
Onchocerca volvulus		0.0039	0.014	0.0603
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0232	0.1419	0.1419
Echinococcus granulosus	fibrillin 1	0.0049	0.0207	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0298	0.1854	0.1854
Echinococcus granulosus	neuroendocrine convertase 2	0.0544	0.3488	0.4728
Mycobacterium tuberculosis	Probable protease II PtrBb [second part] (oligopeptidase B)	0.0059	0.0275	0.3483
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0039	0.014	0.024
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0023	0.0036	0.032
Mycobacterium leprae	PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3)	0.0037	0.0127	0.4409
Mycobacterium tuberculosis	Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like)	0.0037	0.0127	0.152
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.002	0.0014	0.0173
Schistosoma mansoni	integrin alpha-ps	0.0271	0.1677	0.2871
Schistosoma mansoni	cercarial elastase (S01 family)	0.0039	0.014	0.024
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0054	0.0238	0.0238
Schistosoma mansoni	hypothetical protein	0.0039	0.014	0.024
Brugia malayi	Trypsin family protein	0.0039	0.014	0.014
Trichomonas vaginalis	conserved hypothetical protein	0.0167	0.0991	0.2667
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0871	0.0871
Brugia malayi	proprotein convertase 2	0.0544	0.3488	0.3488
Loa Loa (eye worm)	hypothetical protein	0.0865	0.562	0.562
Schistosoma mansoni	integrin alpha-ps	0.0141	0.0816	0.1397
Loa Loa (eye worm)	hypothetical protein	0.013	0.0742	0.0742
Schistosoma mansoni	cercarial elastase (S01 family)	0.0039	0.014	0.024
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0039	0.014	0.024
Schistosoma mansoni	site-1 peptidase (S08 family)	0.0037	0.0127	0.0217
Loa Loa (eye worm)	DOMON domain-containing protein	0.0026	0.0051	0.0051
Echinococcus granulosus	enteropeptidase	0.0039	0.014	0.019
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0526	0.3369	1
Echinococcus multilocularis	glycoprotein Antigen 5	0.0039	0.014	0.019
Loa Loa (eye worm)	proprotein convertase 2	0.0204	0.1237	0.1237
Loa Loa (eye worm)	hypothetical protein	0.004	0.0149	0.0149
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	0.0134	0.0767	1
Mycobacterium leprae	Possible secreted protease	0.0037	0.0127	0.4409
Mycobacterium leprae	Polyketide synthase Pks13	0.0036	0.012	0.4148
Brugia malayi	Membrane-bound transcription factor site-1 protease precursor	0.0037	0.0127	0.0127
Trichomonas vaginalis	conserved hypothetical protein	0.0167	0.0991	0.2667
Toxoplasma gondii	subtilisin SUB6	0.0037	0.0127	0.0925
Echinococcus multilocularis	integrin alpha ps	0.0271	0.1677	0.2273
Onchocerca volvulus		0.0049	0.0207	0.0971
Trichomonas vaginalis	conserved hypothetical protein	0.0167	0.0991	0.2667
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0127	0.0127
Schistosoma mansoni	cercarial elastase (S01 family)	0.0039	0.014	0.024
Trypanosoma brucei	prolyl oligopeptidase, putative	0.0059	0.0275	0.1992
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0039	0.014	0.019
Toxoplasma gondii	subtilisin SUB9	0.0037	0.0127	0.0925
Brugia malayi	Trypsin family protein	0.0039	0.014	0.014
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0204	0.1237	0.3423
Brugia malayi	AMP-binding enzyme family protein	0.0022	0.003	0.003
Loa Loa (eye worm)	hypothetical protein	0.0039	0.014	0.014
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0054	0.0238	0.0408
Brugia malayi	EGF-like domain containing protein	0.0049	0.0207	0.0207
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.0059	0.0275	0.1992
Echinococcus multilocularis	protein jagged 2	0.0049	0.0207	0.0281
Brugia malayi	Integrin alpha pat-2 precursor	0.0604	0.3886	0.3886
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0026	0.0051	0.0516
Brugia malayi	hypothetical protein	0.0232	0.1419	0.1419
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.0059	0.0275	0.1992
Brugia malayi	neuroendocrine convertase 1 precursor	0.0544	0.3488	0.3488
Trypanosoma brucei	oligopeptidase b	0.0059	0.0275	0.1992
Schistosoma mansoni	adam (A disintegrin and metalloprotease	0.0056	0.0256	0.0438
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0204	0.1237	0.3423
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0204	0.1237	0.3423
Schistosoma mansoni	cercarial elastase (S01 family)	0.0039	0.014	0.024
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0051	0.0051
Toxoplasma gondii	subtilisin SUB8	0.0037	0.0127	0.0925
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0674	0.4352	0.5899
Plasmodium vivax	subtilisin-like protease 1	0.0037	0.0127	0.5
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0039	0.014	0.024
Loa Loa (eye worm)	hypothetical protein	0.0039	0.014	0.014
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0023	0.0036	0.032
Brugia malayi	endoprotease bli-4 precursor	0.0865	0.562	0.562
Plasmodium falciparum	subtilisin-like protease 2	0.0037	0.0127	0.5
Loa Loa (eye worm)	hypothetical protein	0.0141	0.0816	0.0816
Schistosoma mansoni	cercarial elastase (S01 family)	0.0039	0.014	0.024
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0039	0.014	0.024
Trichomonas vaginalis	leucine-rich repeat protein, BspA family	0.0167	0.0991	0.2667
Echinococcus multilocularis	integrin beta 2	0.113	0.7377	1
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	0.0225	0.1376	0.1376
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0022	0.003	0.003
Brugia malayi	Muscle positioning protein 4	0.0026	0.0051	0.0051
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0024	0.0041	0.1175
Trichomonas vaginalis	conserved hypothetical protein	0.0167	0.0991	0.2667
Giardia lamblia	Furin precursor putative serine protease	0.0167	0.0991	0.434
Schistosoma mansoni	hypothetical protein	0.013	0.0742	0.127
Plasmodium falciparum	subtilisin-like protease 3	0.0037	0.0127	0.5
Schistosoma mansoni	hypothetical protein	0.0167	0.0991	0.1698
Mycobacterium tuberculosis	Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5)	0.0037	0.0127	0.152
Onchocerca volvulus		0.0258	0.1595	0.858
Echinococcus multilocularis		0.0698	0.451	0.6114
Loa Loa (eye worm)	hypothetical protein	0.0333	0.2091	0.2091
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.0059	0.0275	1
Echinococcus granulosus	prolyl endopeptidase	0.0149	0.0871	0.1181
Toxoplasma gondii	prolyl endopeptidase	0.0149	0.0871	1
Loa Loa (eye worm)	reprolysin	0.0043	0.0168	0.0168
Schistosoma mansoni	hypothetical protein	0.0054	0.0238	0.0408
Mycobacterium ulcerans	membrane-anchored serine protease (mycosin), MycP4	0.0037	0.0127	0.4409
Echinococcus granulosus	integrin beta 2	0.113	0.7377	1
Giardia lamblia	High cysteine membrane protein Group 2	0.0322	0.2014	1
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0024	0.0041	0.1175
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0204	0.1237	0.3423
Loa Loa (eye worm)	fatty acid synthase	0.0024	0.0039	0.0039
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0024	0.0041	0.0385
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0024	0.0041	0.0041
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0298	0.1854	0.3176
Echinococcus multilocularis	c Jun NH2 terminal kinase	0.0225	0.1376	0.1865
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0049	0.0049
Toxoplasma gondii	subtilisin SUB1	0.0037	0.0127	0.0925
Mycobacterium ulcerans	proline rich membrane-anchored mycosin MycP5	0.0037	0.0127	0.4409
Schistosoma mansoni	site-1 peptidase (S08 family)	0.0037	0.0127	0.0217
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0024	0.0041	0.1175
Brugia malayi	prolyl oligopeptidase family protein	0.0149	0.0871	0.0871
Schistosoma mansoni	tripeptidyl-peptidase II (S08 family)	0.0037	0.0127	0.0217
Echinococcus granulosus	integrin alpha ps	0.013	0.0742	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0298	0.1854	0.1854
Mycobacterium ulcerans	polyketide synthase	0.0026	0.0051	0.1548
Echinococcus granulosus	Mastin	0.0039	0.014	0.019
Onchocerca volvulus		0.0039	0.014	0.0603
Loa Loa (eye worm)	hypothetical protein	0.0474	0.3026	0.3026
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0039	0.014	0.014
Echinococcus multilocularis	fibrillin 2	0.0049	0.0207	0.0281
Toxoplasma gondii	subtilisin SUB7	0.0037	0.0127	0.0925
Toxoplasma gondii	subtilisin SUB4	0.0037	0.0127	0.0925
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0024	0.0041	0.1175
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.0059	0.0275	1
Mycobacterium tuberculosis	Probable peptidase	0.0059	0.0275	0.3483
Echinococcus granulosus	proprotein convertase subtilisin:kexin type 5	0.0526	0.3369	0.4567
Trichomonas vaginalis	conserved hypothetical protein	0.0167	0.0991	0.2667
Echinococcus multilocularis	neuroendocrine convertase 2	0.0544	0.3488	0.4728
Echinococcus granulosus	adam	0.0106	0.0582	0.0789
Mycobacterium ulcerans	thioesterase TesA	0.002	0.0014	0.0173
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0204	0.1237	0.3423
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0039	0.014	0.014
Mycobacterium ulcerans	polyketide synthase	0.0024	0.0041	0.1175
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0054	0.0238	0.0323
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0204	0.1237	0.3423
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0302	0.1885	0.3229
Plasmodium falciparum	subtilisin-like protease 1	0.0037	0.0127	0.5
Loa Loa (eye worm)	integrin alpha pat-2	0.0931	0.6055	0.6055
Echinococcus granulosus	furin	0.0865	0.562	0.7618
Toxoplasma gondii	subtilisin SUB2	0.0037	0.0127	0.0925
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0207	0.0207
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.0865	0.562	0.9624
Brugia malayi	EGF-like domain containing protein	0.0049	0.0207	0.0207
Brugia malayi	Trypsin-like protease protein 5	0.0039	0.014	0.014
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.0037	0.0127	0.0217
Trypanosoma cruzi	prolyl endopeptidase	0.0149	0.0871	1
Onchocerca volvulus	Fatty acid synthase homolog	0.0043	0.0169	0.0759
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0043	0.0168	0.0287
Brugia malayi	Hypothetical subtilase-type proteinase F21H12.6 in chromosome II	0.0037	0.0127	0.0127
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0026	0.0051	0.1548
Brugia malayi	Reprolysin	0.0025	0.0049	0.0049
Trichomonas vaginalis	conserved hypothetical protein	0.0167	0.0991	0.2667
Echinococcus granulosus	glycoprotein Antigen 5	0.0039	0.014	0.019
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4)	0.0037	0.0127	0.152
Echinococcus multilocularis	Furin 1	0.0204	0.1237	0.1676
Brugia malayi	Stress-activated protein kinase jnk-1	0.0225	0.1376	0.1376
Onchocerca volvulus		0.0042	0.0159	0.0705
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0026	0.0051	0.0516
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0046	0.0184	0.0184
Schistosoma mansoni	furin-1 (S08 family)	0.0376	0.2378	0.4071
Onchocerca volvulus		0.0026	0.0051	0.0114
Brugia malayi	Kelch motif family protein	0.0232	0.1419	0.1419
Echinococcus multilocularis	fibrillin 1	0.0049	0.0207	0.0281
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0043	0.0168	0.0287
Trichomonas vaginalis	conserved hypothetical protein	0.0167	0.0991	0.2667
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0024	0.0041	0.0385
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0024	0.0041	0.1175
Echinococcus granulosus	integrin alpha 3	0.0463	0.2951	0.4001
Echinococcus multilocularis	integrin alpha 3	0.0463	0.2951	0.4001
Brugia malayi	ADAMTS-like protease	0.0025	0.0049	0.0049
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0036	0.012	0.1429
Trichomonas vaginalis	conserved hypothetical protein	0.0167	0.0991	0.2667
Schistosoma mansoni	integrin alpha	0.0604	0.3886	0.6655
Onchocerca volvulus		0.0039	0.014	0.0603
Onchocerca volvulus		0.0026	0.0051	0.0114
Echinococcus multilocularis	Peptidase S8 S53, subtilisin kexin sedolisin	0.0037	0.0127	0.0172
Trichomonas vaginalis	proprotein convertase subtilisin/kexin type, putative	0.0167	0.0991	0.2667
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0149	0.0871	0.4609
Loa Loa (eye worm)	hypothetical protein	0.0039	0.014	0.014
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0036	0.012	0.1429
Schistosoma mansoni	cercarial elastase (S01 family)	0.0039	0.014	0.024
Toxoplasma gondii	subtilisin SUB12	0.0037	0.0127	0.0925
Onchocerca volvulus		0.0026	0.0051	0.0114
Schistosoma mansoni	cercarial elastase (S01 family)	0.0039	0.014	0.024
Onchocerca volvulus		0.0039	0.014	0.0603
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.0059	0.0275	0.1992
Trichomonas vaginalis	teneurin and N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase, putative	0.0049	0.0207	0.0249
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0026	0.0051	0.1548
Brugia malayi	hypothetical protein	0.0056	0.0256	0.0256
Mycobacterium leprae	PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5)	0.0037	0.0127	0.4409
Brugia malayi	Subtilase family protein	0.0037	0.0127	0.0127
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0039	0.014	0.019
Brugia malayi	Trypsin family protein	0.0039	0.014	0.014
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0039	0.014	0.024
Schistosoma mansoni	serine/threonine protein kinase	0.0225	0.1376	0.2355
Onchocerca volvulus		0.0026	0.0051	0.0114
Schistosoma mansoni	apoptosis regulator bax	0.0054	0.0238	0.0408
Onchocerca volvulus		0.0039	0.014	0.0603
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0149	0.0871	1
Echinococcus granulosus	subfamily M12B unassigned peptidase	0.0043	0.0168	0.0227
Mycobacterium ulcerans	polyketide synthase Pks13	0.0036	0.012	0.4148
Mycobacterium ulcerans	thioesterase	0.002	0.0014	0.0173
Mycobacterium tuberculosis	Probable thioesterase TesA	0.002	0.0014	0.0033
Onchocerca volvulus		0.0037	0.0127	0.0528
Trypanosoma brucei	prolyl endopeptidase	0.0149	0.0871	1
Echinococcus multilocularis	integrin alpha ps	0.0271	0.1677	0.2273
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0149	0.0871	0.1492
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0039	0.014	0.024
Schistosoma mansoni	hypothetical protein	0.0054	0.0238	0.0408
Echinococcus granulosus	membrane bound transcription factor site 1	0.0037	0.0127	0.0172
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0054	0.0238	0.0323
Trichomonas vaginalis	conserved hypothetical protein	0.0167	0.0991	0.2667
Trypanosoma cruzi	oligopeptidase b	0.0059	0.0275	0.1992
Onchocerca volvulus		0.0298	0.1854	1
Echinococcus multilocularis	proprotein convertase subtilisin:kexin type 5	0.0526	0.3369	0.4567
Brugia malayi	EGF-like domain containing protein	0.0049	0.0207	0.0207
Echinococcus multilocularis	prolyl endopeptidase	0.0149	0.0871	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0238	0.0238
Brugia malayi	angiogenesis inhibito	0.0025	0.0049	0.0049
Brugia malayi	Trypsin family protein	0.0298	0.1854	0.1854
Brugia malayi	celfurPC protein	0.0698	0.451	0.451
Echinococcus granulosus	c-Jun N-terminal kinases	0.0225	0.1376	0.1865
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0049	0.0049
Trichomonas vaginalis	hypothetical protein	0.0167	0.0991	0.2667
Trichomonas vaginalis	conserved hypothetical protein	0.0167	0.0991	0.2667
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.0457	0.2911	0.2911
Echinococcus multilocularis	transmembrane protease serine 3	0.0039	0.014	0.019
Echinococcus multilocularis	enteropeptidase	0.0039	0.014	0.019
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0022	0.003	0.0246
Loa Loa (eye worm)	trypsin family protein	0.0039	0.014	0.014
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0039	0.014	0.019
Brugia malayi	EGF-like domain containing protein	0.0049	0.0207	0.0207
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0039	0.014	0.019
Echinococcus multilocularis	integrin alpha ps	0.013	0.0742	0.1006
Echinococcus granulosus	Furin 1	0.0204	0.1237	0.1676
Echinococcus multilocularis	adam	0.0106	0.0582	0.0789
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0168	0.0168
Schistosoma mansoni	subfamily S8B non-peptidase homologue (S08 family)	0.0204	0.1237	0.2118
Echinococcus multilocularis	Mastin	0.0039	0.014	0.019
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.0674	0.4352	0.5899
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0207	0.0207
Toxoplasma gondii	subtilisin SUB10	0.0037	0.0127	0.0925
Mycobacterium ulcerans	membrane-anchored mycosin MycP3	0.0037	0.0127	0.4409
Echinococcus granulosus	transmembrane protease serine 3	0.0039	0.014	0.019
Schistosoma mansoni	hypothetical protein	0.0026	0.0051	0.0088
Onchocerca volvulus		0.0026	0.0051	0.0114
Loa Loa (eye worm)	apoptosis regulator protein	0.0054	0.0238	0.0238
Schistosoma mansoni	integrin beta subunit	0.0898	0.584	1
Trichomonas vaginalis	neuroendocrine convertase 2 precursor, putative	0.0167	0.0991	0.2667
Schistosoma mansoni	cercarial elastase (S01 family)	0.0039	0.014	0.024
Mycobacterium ulcerans	hypothetical protein	0.0039	0.014	0.4925
Loa Loa (eye worm)	hypothetical protein	0.0039	0.014	0.014
Echinococcus granulosus	peptidase s8 s53 subtilisin kexin sedolisin	0.0037	0.0127	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0339	0.2132	0.2132

Activities

Activity type	Activity value	Assay description	Source	Reference
ID50 (functional)	= 3.03 umol/Kg	Antinociceptive activity against acetic acid-induced abdominal constrictions in ip dosed Swiss mouse pretreated 30 mins before acetic acid challenge	ChEMBL.	18722128
ID50 (functional)	= 26.85 umol/Kg	Antinociceptive activity against formalin-induced paw pain in ip dosed Swiss mouse pretreated 30 mins before formalin challenge assessed after 15 to 30 mins	ChEMBL.	18722128
ID50 (functional)	= 62.09 umol/Kg	Antinociceptive activity against glutamate-induced paw pain in ip dosed Swiss mouse pretreated 30 mins before glutamate challenge	ChEMBL.	18722128
ID50 (functional)	= 69.32 umol/Kg	Antinociceptive activity against formalin-induced paw pain in ip dosed Swiss mouse pretreated 30 mins before formalin challenge assessed after 0 to 5 mins	ChEMBL.	18722128
ID50 (functional)	= 377.5 umol/Kg	Antinociceptive activity against acetic acid-induced abdominal constrictions in po dosed Swiss mouse pretreated 30 mins before acetic acid challenge	ChEMBL.	18722128
Inhibition (functional)	= 23.5 %	Antinociceptive activity against acetic acid-induced abdominal constrictions in Swiss mouse assessed as maximal inhibition at 50 mg/kg, po pretreated 30 mins before acetic acid challenge	ChEMBL.	18722128
Inhibition (functional)	= 37.8 %	Antinociceptive activity against formalin-induced paw pain in Swiss mouse assessed as maximal inhibition at 10 mg/kg, ip pretreated 30 mins before formalin challenge assessed after 0 to 5 mins	ChEMBL.	18722128
Inhibition (functional)	= 42.6 %	Antinociceptive activity against glutamate-induced paw pain in Swiss mouse assessed as maximal inhibition at 10 mg/kg, ip pretreated 30 mins before glutamate challenge	ChEMBL.	18722128
Inhibition (functional)	= 43.4 %	Antinociceptive activity against acetic acid-induced abdominal constrictions in Swiss mouse assessed as maximal inhibition at 100 mg/kg, po pretreated 30 mins before acetic acid challenge	ChEMBL.	18722128
Inhibition (functional)	= 51 %	Antinociceptive activity against formalin-induced paw pain in Swiss mouse assessed as maximal inhibition at 6 mg/kg, ip pretreated 30 mins before formalin challenge assessed after 15 to 30 mins	ChEMBL.	18722128
Inhibition (functional)	= 53.9 %	Antinociceptive activity against formalin-induced paw pain in Swiss mouse assessed as maximal inhibition at 30 mg/kg, ip pretreated 30 mins before formalin challenge assessed after 0 to 5 mins	ChEMBL.	18722128
Inhibition (functional)	= 55 %	Antinociceptive activity against acetic acid-induced abdominal constrictions in Swiss mouse assessed as maximal inhibition at 200 mg/kg, po pretreated 30 mins before acetic acid challenge	ChEMBL.	18722128
Inhibition (functional)	= 58.3 %	Antinociceptive activity against glutamate-induced paw pain in Swiss mouse assessed as maximal inhibition at 30 mg/kg, ip pretreated 30 mins before glutamate challenge	ChEMBL.	18722128
Inhibition (functional)	= 62.6 %	Antinociceptive activity against formalin-induced paw pain in Swiss mouse assessed as maximal inhibition at 10 mg/kg, ip pretreated 30 mins before formalin challenge assessed after 15 to 30 mins	ChEMBL.	18722128
Inhibition (functional)	= 78.7 %	Antinociceptive activity against formalin-induced paw pain in Swiss mouse assessed as maximal inhibition at 30 mg/kg, ip pretreated 30 mins before formalin challenge assessed after 15 to 30 mins	ChEMBL.	18722128
Inhibition (functional)	= 94.5 %	Antinociceptive activity against acetic acid-induced abdominal constrictions in Swiss mouse assessed as maximal inhibition at 10 mg/kg, ip pretreated 30 mins before acetic acid challenge	ChEMBL.	18722128

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: CHEMBL491031

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 991461