TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 529.44 | Formula: C21H26Cl2N6O4S--
H donors: 3 H acceptors: 5 LogP: 2.02 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: NC(=N)N1CCc2c(C1)cc(cc2)S(=O)(=O)NC1(CCN(CC1)c1ccncc1)C(=O)O.[Cl-].[Cl-]
InChi: 1S/C21H26N6O4S.2ClH/c22-20(23)27-10-5-15-1-2-18(13-16(15)14-27)32(30,31)25-21(19(28)29)6-11-26(12-7-21)17-3-8-24-9-4-17;;/h1-4,8-9,13,25H,5-7,10-12,14H2,(H3,22,23)(H,28,29);2*1H/p-2
InChiKey: KLWCZGUZFUPARW-UHFFFAOYSA-L

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

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)	TK/ROR protein kinase	0.0021	0.0001	0.0002
Schistosoma mansoni	hypothetical protein	0.0051	0.0181	0.021
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0297	0.0497
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0103	0.0503	0.0503
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0095	0.0158
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0068	0.0068
Toxoplasma gondii	ABC1 family protein	0.0041	0.012	0.0469
Echinococcus multilocularis	carbonic anhydrase	0.0438	0.2558	0.2558
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0041	0.012	0.012
Schistosoma mansoni	hypothetical protein	0.0073	0.032	0.0371
Brugia malayi	beta-lactamase family protein	0.0041	0.012	0.0201
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.012	0.0201
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.0303	0.0507
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0072	0.0311	0.036
Schistosoma mansoni	hypothetical protein	0.0021	0.0001	0.0002
Schistosoma mansoni	hypothetical protein	0.0032	0.0068	0.0079
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0072	0.0311	0.036
Echinococcus granulosus	expressed conserved protein	0.0188	0.1026	0.1719
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0995	0.5971	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0072	0.0311	0.0344
Mycobacterium ulcerans	esterase/lipase LipP	0.0041	0.012	0.0133
Schistosoma mansoni	carbonic anhydrase-related	0.0438	0.2558	0.2967
Loa Loa (eye worm)	hypothetical protein	0.0041	0.012	0.0201
Onchocerca volvulus	Putative sulfate transporter	0.0201	0.1105	1
Trypanosoma brucei	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0032	0.0068	0.0113
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.0303	0.0507
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0311	0.052
Brugia malayi	Niemann-Pick C1 protein precursor	0.0201	0.1101	0.1844
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.012	0.0133
Mycobacterium ulcerans	hypothetical protein	0.0072	0.0311	0.0344
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0051	0.0181	0.0303
Entamoeba histolytica	acyl-coA synthetase, putative	0.0072	0.0311	0.036
Echinococcus multilocularis	carbonic anhydrase	0.0438	0.2558	0.2558
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0054	0.0199	1
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0995	0.5971	0.6925
Schistosoma mansoni	hypothetical protein	0.0032	0.0068	0.0079
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0068	0.0068
Echinococcus granulosus	carbonic anhydrase	0.0438	0.2558	0.4285
Echinococcus granulosus	carbonic anhydrase	0.0438	0.2558	0.4285
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0103	0.0503	0.0843
Loa Loa (eye worm)	beta-lactamase	0.0041	0.012	0.0201
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0095	0.0158
Mycobacterium leprae	Probable transmembrane transport protein	0.0233	0.1297	0.1504
Echinococcus multilocularis	survival motor neuron protein 1	0.0248	0.1392	0.1392
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0032	0.0068	0.0113
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0072	0.0311	0.054
Echinococcus multilocularis	tissue type plasminogen activator	0.0021	0.0001	0.0001
Brugia malayi	CHE-14 protein	0.0086	0.0399	0.0668
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0086	0.0399	0.0668
Mycobacterium ulcerans	acyl-CoA synthetase	0.0072	0.0311	0.0344
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.0303	0.0507
Schistosoma mansoni	hypothetical protein	0.0083	0.038	0.044
Onchocerca volvulus		0.0041	0.012	0.1086
Schistosoma mansoni	survival motor neuron protein	0.0051	0.0181	0.021
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0102	0.0494	0.0827
Leishmania major	hypothetical protein, conserved	0.0021	0.0001	0.0002
Schistosoma mansoni	hypothetical protein	0.0032	0.0068	0.0079
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.0303	0.0507
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.0303	0.0507
Echinococcus multilocularis	protein patched	0.0086	0.0399	0.0399
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0068	0.0114
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0033	0.0071	0.0124
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.0095	0.0158
Echinococcus granulosus	Niemann Pick C1 protein	0.0201	0.1101	0.1844
Schistosoma mansoni	hypothetical protein	0.0069	0.0297	0.0344
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0494	0.0827
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0438	0.2558	0.4285
Leishmania major	4-coumarate:coa ligase-like protein	0.0072	0.0311	0.036
Brugia malayi	hypothetical protein	0.0248	0.1392	0.2332
Loa Loa (eye worm)	hypothetical protein	0.0041	0.012	0.0201
Schistosoma mansoni	hypothetical protein	0.0083	0.038	0.044
Leishmania major	cathepsin L-like protease	0.007	0.0303	0.0351
Mycobacterium tuberculosis	Probable lipase LipE	0.0041	0.012	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0438	0.2558	0.4285
Echinococcus granulosus	GPCR family 2	0.0032	0.0068	0.0114
Mycobacterium ulcerans	integral membrane transporter	0.0032	0.0068	0.0075
Entamoeba histolytica	hypothetical protein	0.0073	0.032	0.0371
Echinococcus granulosus	carbonic anhydrase	0.0438	0.2558	0.4285
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	0.0032	0.0068	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0199	0.0334
Loa Loa (eye worm)	hypothetical protein	0.0041	0.012	0.0201
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0051	0.0182	0.0316
Mycobacterium leprae	Probable lipase LipE	0.0041	0.012	0.0139
Leishmania major	cathepsin L-like protease	0.007	0.0303	0.0351
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0051	0.0182	0.0316
Entamoeba histolytica	hypothetical protein	0.0073	0.032	0.0371
Mycobacterium tuberculosis	Conserved protein	0.0041	0.012	0.0209
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.012	0.0201
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.0303	0.0507
Plasmodium vivax	acyl-CoA synthetase, putative	0.0054	0.0199	1
Leishmania major	cathepsin L-like protease	0.007	0.0303	0.0351
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0041	0.012	0.0209
Schistosoma mansoni	carbonic anhydrase	0.0438	0.2558	0.2967
Loa Loa (eye worm)	hypothetical protein	0.0438	0.2558	0.4285
Echinococcus multilocularis	sentrin specific protease 7	0.0146	0.0766	0.0766
Brugia malayi	beta-lactamase	0.0041	0.012	0.0201
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.0095	0.5
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.0233	0.1297	0.2255
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0073	0.032	0.0536
Trichomonas vaginalis	conserved hypothetical protein	0.1494	0.9028	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0199	0.0334
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.1427	0.8622	1
Mycobacterium ulcerans	transmembrane carbonic anhydrase, SulP	0.0032	0.0068	0.0075
Onchocerca volvulus		0.0041	0.012	0.1086
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0146	0.0766	0.0888
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.0303	0.0507
Schistosoma mansoni	hypothetical protein	0.0083	0.038	0.044
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.0297	0.0497
Plasmodium falciparum	inorganic anion exchanger, inorganic anion antiporter	0.0032	0.0068	0.0264
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.026	0.1462	0.2543
Mycobacterium leprae	conserved hypothetical protein	0.0041	0.012	0.0139
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0041	0.012	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0068	0.0114
Plasmodium falciparum	carbonic anhydrase	0.0438	0.2558	1
Mycobacterium ulcerans	carbonic anhydrase	0.1494	0.9028	1
Echinococcus granulosus	sentrin specific protease 7	0.0146	0.0766	0.1282
Brugia malayi	Protein kinase domain containing protein	0.0021	0.0001	0.0002
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0103	0.0503	0.0503
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0068	0.0068
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0103	0.0503	0.0584
Mycobacterium ulcerans	acyl-CoA synthetase	0.0072	0.0311	0.0344
Mycobacterium ulcerans	acyl-CoA synthetase	0.0072	0.0311	0.0344
Trypanosoma cruzi	cruzipain precursor, putative	0.007	0.0303	0.0507
Plasmodium falciparum	acyl-CoA synthetase	0.0054	0.0199	0.078
Brugia malayi	AMP-binding enzyme family protein	0.0072	0.0311	0.052
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0072	0.0311	0.036
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0995	0.5971	1
Brugia malayi	Kringle domain containing protein	0.0021	0.0001	0.0002
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0021	0.0001	0.0067
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0041	0.012	0.0209
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0095	0.0158
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0068	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0199	0.0334
Brugia malayi	beta-lactamase family protein	0.0041	0.012	0.0201
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0072	0.0311	0.036
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0072	0.0311	0.0344
Loa Loa (eye worm)	hypothetical protein	0.0438	0.2558	0.4285
Loa Loa (eye worm)	STAT protein	0.0156	0.0827	0.1385
Mycobacterium tuberculosis	Beta-carbonic anhydrase	0.0959	0.5751	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0021	0.0001	0.0002
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0072	0.0311	0.0344
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.012	0.0139
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0095	0.011
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0103	0.0503	0.0843
Schistosoma mansoni	patched 1	0.0086	0.0399	0.0462
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.0303	0.0507
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0995	0.5971	0.6925
Echinococcus granulosus	carbonic anhydrase II	0.0995	0.5971	1
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0204	0.112	0.1299
Toxoplasma gondii	kringle domain-containing protein	0.0021	0.0001	0.0005
Schistosoma mansoni	carbonic anhydrase	0.1427	0.8622	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.012	0.0201
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.0095	0.0105
Echinococcus multilocularis	carbonic anhydrase	0.0438	0.2558	0.2558
Mycobacterium ulcerans	hypothetical protein	0.0041	0.012	0.0133
Onchocerca volvulus		0.0201	0.1105	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0041	0.012	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0199	0.0334
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0054	0.0199	0.0221
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.0095	0.037
Loa Loa (eye worm)	hypothetical protein	0.0041	0.012	0.0201
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0146	0.0766	0.0888
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0036	0.0095	0.0105
Schistosoma mansoni	carbonic anhydrase-related	0.0438	0.2558	0.2967
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0103	0.0503	0.0843
Mycobacterium tuberculosis	Conserved protein	0.0041	0.012	0.0209
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0095	0.011
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.0095	0.011
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0095	0.0105
Echinococcus multilocularis	expressed conserved protein	0.0188	0.1026	0.1026
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.012	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0311	0.052
Leishmania major	carbonic anhydrase-like protein	0.0995	0.5971	0.6925
Schistosoma mansoni	hypothetical protein	0.0032	0.0068	0.0079
Trypanosoma brucei	hypothetical protein, conserved	0.0041	0.012	0.0201
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.0303	0.0507
Brugia malayi	Inositol-1	0.0036	0.0095	0.0158
Echinococcus granulosus	Protein patched homolog 1	0.0086	0.0399	0.0668
Echinococcus granulosus	expressed conserved protein	0.0133	0.0688	0.1151
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.0767	0.4574	0.7954
Onchocerca volvulus		0.0021	0.0001	0.0012
Schistosoma mansoni	carbonic anhydrase-related	0.0438	0.2558	0.2967
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0041	0.012	0.0201
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0995	0.5971	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.012	0.0139
Entamoeba histolytica	hypothetical protein	0.0073	0.032	0.0371
Leishmania major	4-coumarate:coa ligase-like protein	0.0072	0.0311	0.036
Echinococcus granulosus	sterol regulatory element binding protein	0.0086	0.0399	0.0668
Brugia malayi	hypothetical protein	0.0073	0.032	0.0536
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0072	0.0311	0.0344
Trypanosoma cruzi	cysteine peptidase, putative	0.007	0.0303	0.0507
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0051	0.0182	0.0316
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0041	0.012	0.0209
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.012	0.6015
Leishmania major	4-coumarate:coa ligase-like protein	0.0072	0.0311	0.036
Loa Loa (eye worm)	carbonic anhydrase 3	0.0995	0.5971	1
Mycobacterium tuberculosis	Conserved protein	0.0041	0.012	0.0209
Echinococcus multilocularis	sterol regulatory element binding protein	0.0086	0.0399	0.0399
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.012	0.0133
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0041	0.012	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0311	0.052
Loa Loa (eye worm)	hypothetical protein	0.0041	0.012	0.0201
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0438	0.2558	0.4285
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0033	0.0071	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0201	0.1101	0.1844
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0995	0.5971	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0103	0.0503	0.0584
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0438	0.2558	0.4285
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0095	0.011
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.0893	0.5345	0.9295
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0102	0.0494	0.0827
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0054	0.0199	0.0347
Schistosoma mansoni	hypothetical protein	0.0438	0.2558	0.2967
Trichomonas vaginalis	D-aminoacylase, putative	0.0041	0.012	0.0133
Trypanosoma cruzi	cysteine peptidase, putative	0.007	0.0303	0.0507
Mycobacterium ulcerans	carbonic anhydrase	0.1427	0.8622	0.9551
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0068	0.0114
Echinococcus granulosus	beta LACTamase domain containing family member	0.0041	0.012	0.0201
Onchocerca volvulus		0.0051	0.0181	0.1639
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.0303	0.0507
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0073	0.032	0.032
Echinococcus granulosus	tissue type plasminogen activator	0.0021	0.0001	0.0002
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0103	0.0503	0.0843
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0517	0.0867
Echinococcus multilocularis	protein dispatched 1	0.0098	0.0473	0.0473
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.0399	0.0442
Trichomonas vaginalis	conserved hypothetical protein	0.1494	0.9028	1
Trypanosoma cruzi	cysteine peptidase, putative	0.007	0.0303	0.0507
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0156	0.0827	0.1385
Trypanosoma cruzi	Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative	0.0032	0.0068	0.0113
Leishmania major	carbonic anhydrase family protein, putative	0.1427	0.8622	1
Toxoplasma gondii	inorganic anion transporter, sulfate permease (SulP) family protein	0.0032	0.0068	0.0264
Schistosoma mansoni	transcription factor LCR-F1	0.0073	0.032	0.0371
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0199	0.0334
Onchocerca volvulus		0.0072	0.0311	0.2811
Trypanosoma brucei	carbonic anhydrase-like protein	0.0995	0.5971	1
Mycobacterium ulcerans	lipase LipD	0.0041	0.012	0.0133
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0072	0.0311	0.054
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0399	0.0668
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.007	0.0303	0.0507
Mycobacterium tuberculosis	Probable hydrolase	0.0041	0.012	0.0209
Plasmodium vivax	sulfate transporter, putative	0.0032	0.0068	0.3385
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0095	0.0105
Leishmania major	hypothetical protein, conserved	0.0041	0.012	0.0139
Entamoeba histolytica	carbonic anhydrase, putative	0.1427	0.8622	1
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0201	0.1101	0.1277
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0064	0.0265	0.0444
Echinococcus granulosus	Niemann Pick C1 protein	0.0287	0.1628	0.2727
Trichomonas vaginalis	esterase, putative	0.0041	0.012	0.0133
Echinococcus multilocularis	expressed conserved protein	0.0133	0.0688	0.0688
Brugia malayi	AMP-binding enzyme family protein	0.0072	0.0311	0.052
Loa Loa (eye worm)	hypothetical protein	0.0248	0.1392	0.2332
Mycobacterium ulcerans	beta-lactamase	0.0041	0.012	0.0133
Brugia malayi	AMP-binding enzyme family protein	0.0072	0.0311	0.052
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0438	0.2558	0.4285
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0068	0.0114
Plasmodium falciparum	cysteine repeat modular protein 1	0.0021	0.0001	0.0005
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0068	0.0114
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0102	0.0494	0.0827
Mycobacterium tuberculosis	Probable lipase LipD	0.0041	0.012	0.0209
Echinococcus multilocularis	Niemann Pick C1 protein	0.0287	0.1628	0.1628
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0438	0.2558	0.4285
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0001	0.0002
Schistosoma mansoni	hypothetical protein	0.0083	0.038	0.044
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0438	0.2558	0.4285
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.0095	0.0095
Trichomonas vaginalis	penicillin-binding protein, putative	0.0041	0.012	0.0133
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0103	0.0503	0.0584
Trypanosoma cruzi	major cysteine proteinase, putative	0.0055	0.021	0.0352
Echinococcus granulosus	survival motor neuron protein 1	0.0248	0.1392	0.2332
Echinococcus multilocularis	Niemann Pick C1 protein	0.0201	0.1101	0.1101
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0051	0.0182	0.0316
Onchocerca volvulus		0.0041	0.012	0.1086
Entamoeba histolytica	hypothetical protein	0.0073	0.032	0.0371
Echinococcus multilocularis	carbonic anhydrase II	0.0995	0.5971	0.5971
Toxoplasma gondii	hypothetical protein	0.0438	0.2558	1
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0995	0.5971	1
Loa Loa (eye worm)	inositol-1	0.0036	0.0095	0.0158

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2.9 uM	Inhibitory concentration against human Coagulation factor X	ChEMBL.	15887966
IC50 (binding)	> 10 uM	Inhibitory concentration against human Coagulation factor II (thrombin)	ChEMBL.	15887966

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: 422636

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 337952