TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 477.456 | Formula: C22H18F3N3O4S
H donors: 1 H acceptors: 4 LogP: 4.35 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CS(=O)(=O)c1cn(c2c1cccc2)Cc1cccc(c1)C(F)(F)F)Nc1noc(c1)C
InChi: 1S/C22H18F3N3O4S/c1-14-9-20(27-32-14)26-21(29)13-33(30,31)19-12-28(18-8-3-2-7-17(18)19)11-15-5-4-6-16(10-15)22(23,24)25/h2-10,12H,11,13H2,1H3,(H,26,27,29)
InChiKey: XWEZRSCMBQVPCF-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	SMAD family member 2	Starlite/ChEMBL	No references
Rattus norvegicus	Muscarinic acetylcholine receptor M1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	serotonin receptor	Muscarinic acetylcholine receptor M1	460 aa	432 aa	26.6 %
Echinococcus granulosus	biogenic amine 5HT receptor	Muscarinic acetylcholine receptor M1	460 aa	432 aa	26.6 %
Schistosoma japonicum	ko:K04136 adrenergic receptor, alpha 1b, putative	Muscarinic acetylcholine receptor M1	460 aa	462 aa	23.4 %
Loa Loa (eye worm)	hypothetical protein	Muscarinic acetylcholine receptor M1	460 aa	425 aa	22.1 %
Schistosoma mansoni	amine GPCR	Muscarinic acetylcholine receptor M1	460 aa	463 aa	27.0 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Kringle domain containing protein	0.0029	0.0063	0.0023
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Schistosoma mansoni	discoidin domain receptor	0.0031	0.0078	0.0078
Schistosoma mansoni	protein arginine N-methyltransferase 1	0.0165	0.1312	0.1312
Echinococcus multilocularis	protein arginine methyltransferase	0.0165	0.1312	0.1568
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0257	0.2166	0.2135
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.1107	1	1
Brugia malayi	proprotein convertase 2	0.0696	0.6208	0.6193
Brugia malayi	Hypothetical subtilase-type proteinase F21H12.6 in chromosome II	0.0047	0.0231	0.0192
Trichomonas vaginalis	protein arginine N-methyltransferase, putative	0.0093	0.0649	0.0965
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0056	0.031	0.0271
Plasmodium falciparum	subtilisin-like protease 1	0.0047	0.0231	0.1345
Schistosoma mansoni	hypothetical protein	0.0029	0.0063	0.0063
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0068	0.0425	0.0425
Brugia malayi	Membrane-bound transcription factor site-1 protease precursor	0.0047	0.0231	0.0192
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0673	0.5997	1
Schistosoma mansoni	serine/threonine protein kinase	0.0082	0.0554	0.0554
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 3	0.0546	0.483	0.5986
Toxoplasma gondii	histone arginine methyltransferase PRMT4/CARM1	0.0093	0.0649	0.4695
Plasmodium falciparum	LCCL domain-containing protein	0.0031	0.0078	0.012
Trichomonas vaginalis	conserved hypothetical protein	0.0214	0.1769	0.2856
Trichomonas vaginalis	proprotein convertase subtilisin/kexin type, putative	0.0214	0.1769	0.2856
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Echinococcus multilocularis	chromatin regulatory protein sir2	0.0546	0.483	0.5986
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0081	0.0538	0.0776
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Entamoeba histolytica	hypothetical protein	0.0257	0.2166	0.3968
Toxoplasma gondii	bicoid-interacting protein BIN3	0.0093	0.0649	0.4695
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0081	0.0538	0.0776
Brugia malayi	NAD-dependent deacetylase SIRT1	0.0081	0.0538	0.05
Trypanosoma cruzi	arginine N-methyltransferase, type I	0.0093	0.0649	0.123
Brugia malayi	Protein kinase domain containing protein	0.0029	0.0063	0.0023
Onchocerca volvulus		0.0068	0.0422	1
Trichomonas vaginalis	conserved hypothetical protein	0.0214	0.1769	0.2856
Schistosoma mansoni	hypothetical protein	0.0093	0.0649	0.0649
Toxoplasma gondii	subtilisin SUB8	0.0047	0.0231	0.1345
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Mycobacterium tuberculosis	Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like)	0.0047	0.0231	0.3328
Echinococcus granulosus	methyltransferase protein 5	0.0093	0.0649	0.059
Toxoplasma gondii	F5/8 type C domain-containing protein	0.0031	0.0078	0.012
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0078	0.0038
Echinococcus granulosus	Furin 1	0.0262	0.2205	0.2156
Toxoplasma gondii	F5/8 type C domain-containing protein	0.0031	0.0078	0.012
Entamoeba histolytica	arginine N-methyltransferase protein, putative	0.0257	0.2166	0.3968
Trypanosoma cruzi	serine peptidase, clan SB, family S8-like protein	0.0047	0.0231	0.0352
Schistosoma mansoni	btb and poz domain-containing protein	0.0031	0.0078	0.0078
Loa Loa (eye worm)	hypothetical protein	0.1107	1	1
Toxoplasma gondii	subtilisin SUB6	0.0047	0.0231	0.1345
Schistosoma mansoni	furin-1 (S08 family)	0.0482	0.4234	0.4234
Trichomonas vaginalis	conserved hypothetical protein	0.0214	0.1769	0.2856
Toxoplasma gondii	F5/8 type C domain-containing protein	0.0031	0.0078	0.012
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0078	0.0038
Entamoeba histolytica	arginine N-methyltransferase 1, putative	0.0093	0.0649	0.0533
Schistosoma mansoni	chromatin regulatory protein sir2	0.0081	0.0538	0.0538
Trichomonas vaginalis	protein arginine N-methyltransferase, putative	0.0093	0.0649	0.0965
Toxoplasma gondii	histone arginine methyltransferase PRMT3	0.0093	0.0649	0.4695
Brugia malayi	transcriptional regulator, Sir2 family protein	0.0081	0.0538	0.05
Trichomonas vaginalis	conserved hypothetical protein	0.0214	0.1769	0.2856
Toxoplasma gondii	subtilisin SUB9	0.0047	0.0231	0.1345
Echinococcus multilocularis	proprotein convertase subtilisin:kexin type 5	0.0673	0.5997	0.7452
Echinococcus granulosus	NAD dependent deacetylase sirtuin 3	0.0546	0.483	0.4797
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0262	0.2205	0.3593
Schistosoma mansoni	protein arginine n-methyltransferase	0.0093	0.0649	0.0649
Plasmodium falciparum	subtilisin-like protease 3	0.0047	0.0231	0.1345
Trichomonas vaginalis	conserved hypothetical protein	0.0214	0.1769	0.2856
Plasmodium vivax	protein arginine N-methyltransferase 1, putative	0.0165	0.1312	1
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0081	0.0538	0.0776
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0081	0.0538	0.0776
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.0231	0.0258
Loa Loa (eye worm)	subtilase	0.0047	0.0231	0.0192
Trypanosoma cruzi	arginine N-methyltransferase, putative	0.0257	0.2166	0.4412
Loa Loa (eye worm)	endoprotease bli-4	0.1107	1	1
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0081	0.0538	0.0776
Toxoplasma gondii	subtilisin SUB1	0.0047	0.0231	0.1345
Plasmodium vivax	subtilisin-like serine protease, putative	0.0047	0.0231	0.1345
Brugia malayi	hypothetical protein	0.0257	0.2166	0.2135
Brugia malayi	Carm1-pending protein	0.0093	0.0649	0.0612
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0546	0.483	1
Trypanosoma brucei	Silent information regulator 2 related protein 3	0.0081	0.0538	0.0667
Plasmodium falciparum	LCCL domain-containing protein	0.0031	0.0078	0.012
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Echinococcus multilocularis	protein kinase c epsilon type	0.0082	0.0554	0.0617
Schistosoma mansoni	discoidin domain receptor	0.0031	0.0078	0.0078
Plasmodium falciparum	subtilisin-like protease 2	0.0047	0.0231	0.1345
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0538	0.05
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Trypanosoma cruzi	subtilisin peptidase	0.0047	0.0231	0.0352
Schistosoma mansoni	tripeptidyl-peptidase II (S08 family)	0.0047	0.0231	0.0231
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0081	0.0538	0.0776
Schistosoma mansoni	site-1 peptidase (S08 family)	0.0047	0.0231	0.0231
Mycobacterium tuberculosis	Transcriptional regulatory protein	0.0081	0.0538	1
Echinococcus multilocularis	discoidin domain receptor	0.0031	0.0078	0.0019
Trypanosoma cruzi	arginine N-methyltransferase, type I	0.0093	0.0649	0.123
Echinococcus multilocularis	membrane bound transcription factor site 1	0.0047	0.0231	0.0211
Echinococcus granulosus	Coagulation factor 5 8 type C terminal	0.0031	0.0078	0.0015
Onchocerca volvulus		0.0047	0.0231	0.5353
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Plasmodium vivax	LCCL domain-containing protein	0.0031	0.0078	0.012
Echinococcus multilocularis	nuclear receptor 2C2 associated protein	0.0031	0.0078	0.0019
Echinococcus multilocularis	neuroendocrine convertase 2	0.0696	0.6208	0.7717
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0262	0.2205	0.3593
Echinococcus granulosus	protein arginine N methyltransferase 7	0.0093	0.0649	0.059
Toxoplasma gondii	subtilisin SUB5	0.0047	0.0231	0.1345
Entamoeba histolytica	hypothetical protein, conserved	0.0081	0.0538	0.028
Brugia malayi	transcriptional regulator, Sir2 family protein	0.0546	0.483	0.4809
Echinococcus granulosus	serine:threonine protein kinase N2	0.0067	0.0414	0.0353
Echinococcus multilocularis	MAM	0.0068	0.0422	0.0451
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Schistosoma mansoni	site-1 peptidase (S08 family)	0.0047	0.0231	0.0231
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0082	0.0554	0.0516
Trypanosoma cruzi	subtilisin-like serine peptidase, putative	0.0066	0.0399	0.0704
Trichomonas vaginalis	protein arginine N-methyltransferase, putative	0.0165	0.1312	0.2084
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Echinococcus granulosus	NAD dependent deacetylase sirtuin 1	0.0081	0.0538	0.0478
Trichomonas vaginalis	leucine-rich repeat protein, BspA family	0.0214	0.1769	0.2856
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0262	0.2205	0.3593
Brugia malayi	Protein kinase domain containing protein	0.0068	0.0422	0.0383
Trichomonas vaginalis	hypothetical protein	0.0214	0.1769	0.2856
Leishmania major	silent information regulator 2, putative	0.0546	0.483	1
Toxoplasma gondii	subtilisin SUB7	0.0047	0.0231	0.1345
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.0231	0.0258
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Plasmodium vivax	subtilisin-like protease 1	0.0047	0.0231	0.1345
Loa Loa (eye worm)	transcriptional regulator	0.0081	0.0538	0.05
Trichomonas vaginalis	protein arginine N-methyltransferase, putative	0.0093	0.0649	0.0965
Echinococcus granulosus	histone arginine methyltransferase CARMER	0.0093	0.0649	0.059
Brugia malayi	MH2 domain containing protein	0.0144	0.1124	0.1088
Echinococcus granulosus	neuroendocrine convertase 2	0.0696	0.6208	0.6184
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0546	0.483	0.8028
Leishmania major	arginine N-methyltransferase, type III, putative;with=GeneDB:Tb927.7.5490	0.0093	0.0649	0.123
Trypanosoma cruzi	subtilisin-like serine peptidase, putative	0.0066	0.0399	0.0704
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Schistosoma mansoni	hypothetical protein	0.0068	0.0422	0.0422
Schistosoma mansoni	protein arginine N-methyltransferase 1	0.0165	0.1312	0.1312
Onchocerca volvulus	Putative cubilin	0.0027	0.004	0.0706
Echinococcus granulosus	peptidase s8 s53 subtilisin kexin sedolisin	0.0047	0.0231	0.0169
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0262	0.2205	0.3593
Plasmodium vivax	subtilisin-like protease 2, putative	0.0047	0.0231	0.1345
Onchocerca volvulus		0.0029	0.0063	0.1264
Echinococcus multilocularis	epidermal growth factor receptor	0.0056	0.031	0.031
Entamoeba histolytica	NAD-dependent deacetylase 1, putative	0.0081	0.0538	0.028
Brugia malayi	Furin-like cysteine rich region family protein	0.0056	0.031	0.0271
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.0231	0.0258
Echinococcus multilocularis	Furin 1	0.0262	0.2205	0.269
Giardia lamblia	Hypothetical protein	0.0546	0.483	1
Echinococcus multilocularis	histone arginine methyltransferase CARMER	0.0093	0.0649	0.0736
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0081	0.0538	0.0776
Plasmodium vivax	LCCL domain-containing protein	0.0031	0.0078	0.012
Brugia malayi	transcriptional regulator, Sir2 family protein	0.0081	0.0538	0.05
Echinococcus granulosus	discoidin domain containing receptor 2	0.0031	0.0078	0.0015
Trichomonas vaginalis	conserved hypothetical protein	0.0214	0.1769	0.2856
Giardia lamblia	High cysteine membrane protein Group 2	0.0411	0.3587	0.7105
Echinococcus granulosus	proprotein convertase subtilisin:kexin type 5	0.0673	0.5997	0.5972
Trichomonas vaginalis	protein arginine N-methyltransferase, putative	0.0165	0.1312	0.2084
Plasmodium falciparum	protein arginine N-methyltransferase 1	0.0165	0.1312	1
Echinococcus multilocularis	protein arginine N methyltransferase 7	0.0093	0.0649	0.0736
Schistosoma mansoni	protein arginine N-methyltransferase 1	0.0165	0.1312	0.1312
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0262	0.2205	0.3593
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0081	0.0538	0.028
Leishmania major	subtilisin-like serine peptidase	0.0047	0.0231	0.0352
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0081	0.0538	0.0776
Schistosoma mansoni	chromatin regulatory protein sir2	0.0546	0.483	0.483
Leishmania major	arginine N-methyltransferase-like protein	0.0165	0.1312	0.262
Echinococcus granulosus	protein arginine methyltransferase	0.0165	0.1312	0.1257
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0262	0.2205	0.3593
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.1124	0.1088
Loa Loa (eye worm)	TK/ROR protein kinase	0.0029	0.0063	0.0023
Echinococcus granulosus	membrane bound transcription factor site 1	0.0047	0.0231	0.0169
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 7	0.0081	0.0538	0.0596
Mycobacterium leprae	Possible secreted protease	0.0047	0.0231	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Trypanosoma brucei	SIR2-like protein 4, putative	0.0081	0.0538	0.0667
Trypanosoma cruzi	arginine N-methyltransferase, putative	0.0257	0.2166	0.4412
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.1124	0.1088
Plasmodium vivax	NAD-dependent deacetylase, putative	0.0081	0.0538	0.3801
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.0231	0.0258
Brugia malayi	hypothetical protein	0.0068	0.0422	0.0383
Loa Loa (eye worm)	transcriptional regulator	0.0081	0.0538	0.05
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0246	0.0206
Schistosoma mansoni	tyrosine kinase	0.0056	0.031	0.031
Mycobacterium leprae	PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3)	0.0047	0.0231	1
Mycobacterium leprae	PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5)	0.0047	0.0231	1
Brugia malayi	protein kinase C II.	0.0082	0.0554	0.0516
Onchocerca volvulus		0.0031	0.0078	0.163
Plasmodium falciparum	transcriptional regulatory protein sir2b	0.0081	0.0538	0.3801
Schistosoma mansoni	hypothetical protein	0.0068	0.0422	0.0422
Echinococcus multilocularis	protein arginine N methyltransferase 8	0.0165	0.1312	0.1568
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0075	0.0489	0.0535
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0231	0.0192
Echinococcus multilocularis	discoidin domain containing receptor 2	0.0031	0.0078	0.0019
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Trypanosoma cruzi	arginine N-methyltransferase, type III	0.0093	0.0649	0.123
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.0231	0.0258
Brugia malayi	Subtilase family protein	0.0047	0.0231	0.0192
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0422	0.0383
Loa Loa (eye worm)	TK/ALK protein kinase	0.0068	0.0422	0.0383
Trypanosoma brucei	Silent information regulator 2 related protein 1	0.0546	0.483	1
Brugia malayi	celfurPC protein	0.0893	0.8026	0.8018
Echinococcus granulosus	protein arginine N methyltransferase 8	0.0165	0.1312	0.1257
Trypanosoma brucei	serine peptidase, clan SB, family S8-like protein	0.0066	0.0399	0.0365
Echinococcus multilocularis	discoidin domain containing receptor 2	0.0031	0.0078	0.0019
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0081	0.0538	0.0776
Brugia malayi	Protein kinase domain containing protein	0.0031	0.0078	0.0038
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Toxoplasma gondii	subtilisin SUB11	0.0047	0.0231	0.1345
Plasmodium falciparum	transcriptional regulatory protein sir2a	0.0081	0.0538	0.3801
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0673	0.5997	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0422	0.0383
Brugia malayi	Protein arginine N-methyltransferase	0.0093	0.0649	0.0612
Trichomonas vaginalis	conserved hypothetical protein	0.0214	0.1769	0.2856
Plasmodium vivax	hypothetical protein, conserved	0.0081	0.0538	0.3801
Trichomonas vaginalis	conserved hypothetical protein	0.0214	0.1769	0.2856
Leishmania major	NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe	0.0081	0.0538	0.0996
Loa Loa (eye worm)	sirtuin 4	0.0081	0.0538	0.05
Loa Loa (eye worm)	Carm1-pending protein	0.0093	0.0649	0.0612
Echinococcus multilocularis	Peptidase S8 S53, subtilisin kexin sedolisin	0.0047	0.0231	0.0211
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0546	0.483	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0422	0.0383
Onchocerca volvulus		0.0068	0.0422	1
Mycobacterium ulcerans	NAD-dependent deacetylase	0.0081	0.0538	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0063	0.0023
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 6	0.0081	0.0538	0.0596
Leishmania major	sir2-family protein-like protein	0.0081	0.0538	0.0996
Brugia malayi	neuroendocrine convertase 1 precursor	0.0696	0.6208	0.6193
Echinococcus granulosus	furin	0.1107	1	1
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3)	0.0047	0.0231	0.3328
Mycobacterium tuberculosis	Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4)	0.0047	0.0231	0.3328
Echinococcus multilocularis		0.0893	0.8026	1
Loa Loa (eye worm)	hypothetical protein	0.0434	0.3798	0.3773
Mycobacterium ulcerans	Sir2-like regulatory protein	0.0081	0.0538	1
Echinococcus granulosus	discoidin domain receptor	0.0031	0.0078	0.0015
Trichomonas vaginalis	conserved hypothetical protein	0.0214	0.1769	0.2856
Echinococcus granulosus	protein kinase c epsilon type	0.0082	0.0554	0.0494
Trypanosoma cruzi	Silent information regulator 2 related protein 1	0.0546	0.483	1
Trypanosoma cruzi	protein arginine n-methyltransferase 7	0.0093	0.0649	0.123
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Trichomonas vaginalis	neuroendocrine convertase 2 precursor, putative	0.0214	0.1769	0.2856
Toxoplasma gondii	subtilisin SUB12	0.0047	0.0231	0.1345
Schistosoma mansoni	chromatin regulatory protein sir2	0.0546	0.483	0.483
Trypanosoma cruzi	Silent information regulator 2 related protein 3	0.0081	0.0538	0.0996
Echinococcus granulosus	MAM	0.0068	0.0422	0.0361
Giardia lamblia	Furin precursor putative serine protease	0.0214	0.1769	0.2868
Toxoplasma gondii	subtilisin SUB10	0.0047	0.0231	0.1345
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0546	0.483	0.8028
Trypanosoma brucei	protein arginine n-methyltransferase 7	0.0093	0.0649	0.091
Loa Loa (eye worm)	protein arginine N-methyltransferase	0.0093	0.0649	0.0612
Echinococcus granulosus	discoidin domain containing receptor 2	0.0031	0.0078	0.0015
Echinococcus granulosus	epidermal growth factor receptor	0.0056	0.031	0.0248
Schistosoma mansoni	chromatin regulatory protein sir2	0.0081	0.0538	0.0538
Schistosoma mansoni	septate junction protein	0.0039	0.0156	0.0156
Schistosoma mansoni	subfamily S8B non-peptidase homologue (S08 family)	0.0262	0.2205	0.2205
Toxoplasma gondii	histone arginine methyltransferase PRMT1	0.0165	0.1312	1
Echinococcus granulosus	NAD dependent deacetylase sirtuin 7	0.0081	0.0538	0.0478
Echinococcus granulosus	chromatin regulatory protein sir2	0.0546	0.483	0.4797
Toxoplasma gondii	subtilisin SUB2	0.0047	0.0231	0.1345
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Toxoplasma gondii	PA14 domain-containing protein	0.0031	0.0078	0.012
Schistosoma mansoni	chromatin regulatory protein sir2	0.0546	0.483	0.483
Schistosoma mansoni	hypothetical protein	0.0031	0.0078	0.0078
Trichomonas vaginalis	protein arginine N-methyltransferase, putative	0.0165	0.1312	0.2084
Loa Loa (eye worm)	transcriptional regulator	0.0546	0.483	0.4809
Echinococcus granulosus	discoidin domain containing receptor 2	0.0031	0.0078	0.0015
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Trypanosoma cruzi	Silent information regulator 2 related protein 3	0.0081	0.0538	0.0996
Schistosoma mansoni	chromatin regulatory protein sir2	0.0081	0.0538	0.0538
Trichomonas vaginalis	conserved hypothetical protein	0.0214	0.1769	0.2856
Trypanosoma brucei	Protein arginine N-methyltransferase 1 catalytic subunit	0.0257	0.2166	0.4208
Toxoplasma gondii	histone deacetylase SIR2	0.0081	0.0538	0.3801
Echinococcus multilocularis	discoidin domain containing receptor 2	0.0031	0.0078	0.0019
Schistosoma mansoni	hypothetical protein	0.0214	0.1769	0.1769
Loa Loa (eye worm)	proprotein convertase 2	0.0262	0.2205	0.2174
Schistosoma mansoni	dock	0.0031	0.0078	0.0078
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 1	0.0081	0.0538	0.0596
Trypanosoma cruzi	Silent information regulator 2 related protein 1	0.0546	0.483	1
Echinococcus granulosus	NAD dependent deacetylase sirtuin 6	0.0081	0.0538	0.0478
Mycobacterium tuberculosis	Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5)	0.0047	0.0231	0.3328
Onchocerca volvulus		0.0031	0.0078	0.163
Trichomonas vaginalis	conserved hypothetical protein	0.0214	0.1769	0.2856
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.0047	0.0231	0.0231
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0047	0.0231	0.0258
Echinococcus multilocularis	Coagulation factor 5 8 type, C terminal	0.0031	0.0078	0.0019
Schistosoma mansoni	chromatin regulatory protein sir2	0.0081	0.0538	0.0538
Toxoplasma gondii	subtilisin SUB4	0.0047	0.0231	0.1345
Toxoplasma gondii	histone deacetylase SIR2-like	0.0081	0.0538	0.3801
Leishmania major	arginine N-methyltransferase, type I	0.0093	0.0649	0.123

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	> 10 uM	Allosteric modulation at rat M1 receptor expressed in CHO cells by calcium mobilization assay	ChEMBL.	21194936
Potency (functional)	11.2202 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1773273

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1525985