TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 787.899 | Formula: C38H57N7O11
H donors: 8 H acceptors: 11 LogP: 1.25 Rotable bonds: 29
Rule of 5 violations (Lipinski): 4
SMILES: CCC[C@H](C(=O)NCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C)CC(=O)O)CC(=O)O
InChi: 1S/C38H57N7O11/c1-7-13-25(33(51)39-20-24-14-10-9-11-15-24)41-36(54)28-16-12-17-45(28)38(56)31(21(3)4)43-37(55)32(22(5)8-2)44-35(53)27(19-30(49)50)42-34(52)26(18-29(47)48)40-23(6)46/h9-11,14-15,21-22,25-28,31-32H,7-8,12-13,16-20H2,1-6H3,(H,39,51)(H,40,46)(H,41,54)(H,42,52)(H,43,55)(H,44,53)(H,47,48)(H,49,50)/t22-,25+,26-,27+,28-,31-,32-/m0/s1
InChiKey: SDJZZUWGQQRKKX-VOFONVMCSA-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

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
Trichomonas vaginalis	tubulin beta chain, putative	0.0054	0.0106	0.0909
Leishmania major	beta tubulin	0.0054	0.0108	0.0123
Echinococcus granulosus	Tubulin beta 2C chain	0.0054	0.0108	0.0108
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.004	0.0039
Echinococcus granulosus	tubulin alpha chain	0.0054	0.0106	0.0106
Leishmania major	beta tubulin	0.0054	0.0108	0.0123
Mycobacterium tuberculosis	PE-PGRS family protein PE_PGRS11	0.0032	0.0019	0.5
Toxoplasma gondii	Ulp1 protease family, C-terminal catalytic domain-containing protein	0.0047	0.008	0.3699
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0047	0.008	0.0061
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1866	0.7226	1
Entamoeba histolytica	tubulin alpha-1 chain	0.0054	0.0106	0.0207
Leishmania major	beta tubulin	0.0054	0.0108	0.0123
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0021	0.0002
Entamoeba histolytica	hypothetical protein	0.0037	0.004	0.005
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.005	0.0091	0.008
Loa Loa (eye worm)	AUR protein kinase	0.005	0.0091	0.009
Schistosoma mansoni	tyrosine kinase	0.0044	0.0069	0.0068
Brugia malayi	Tubulin beta-1 chain	0.0054	0.0108	0.0088
Leishmania major	alpha tubulin	0.0054	0.0106	0.0121
Trichomonas vaginalis	AGC family protein kinase	0.005	0.0091	0.0748
Plasmodium vivax	tubulin epsilon chain, putative	0.0035	0.0031	0.1367
Echinococcus granulosus	tubulin alpha 1C chain	0.0054	0.0106	0.0106
Echinococcus multilocularis	Tubulin beta 2C chain	0.0054	0.0108	0.0097
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0076	0.0065
Echinococcus multilocularis	phosphoglycerate mutase	0.0032	0.0019	0.0008
Schistosoma mansoni	tubulin subunit alpha	0.0054	0.0106	0.0105
Loa Loa (eye worm)	glutaminase 2	0.0275	0.0976	0.0975
Loa Loa (eye worm)	lipocalin/cytosolic fatty-acid binding protein family protein	0.0582	0.2183	0.2182
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.005	0.0091	0.017
Schistosoma mansoni	tyrosine kinase	0.0044	0.0069	0.0068
Trypanosoma brucei	alpha tubulin	0.0054	0.0106	0.0121
Schistosoma mansoni	alpha tubulin	0.0054	0.0106	0.0105
Plasmodium falciparum	sentrin-specific protease 1	0.0047	0.008	0.6838
Mycobacterium ulcerans	catalase KatE	0.0073	0.0183	0.0388
Loa Loa (eye worm)	indoleamine 2,3-dioxygenase	0.2573	1	1
Schistosoma mansoni	hypothetical protein	0.0037	0.004	0.0039
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0021	0.002
Toxoplasma gondii	aurora kinase	0.005	0.0091	0.4385
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0047	0.0046
Schistosoma mansoni	hypothetical protein	0.0032	0.0019	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0011	0.001
Schistosoma mansoni	hypothetical protein	0.0069	0.0167	0.0166
Chlamydia trachomatis	2,3-bisphosphoglycerate-dependent phosphoglycerate mutase	0.0032	0.0019	0.5
Plasmodium falciparum	tubulin beta chain	0.0054	0.0108	1
Echinococcus granulosus	phosphoglycerate mutase	0.0032	0.0019	0.0019
Echinococcus granulosus	beta tubulin	0.0054	0.0108	0.0108
Loa Loa (eye worm)	tubulin alpha 2	0.0039	0.0047	0.0046
Leishmania major	beta tubulin	0.0054	0.0108	0.0123
Leishmania major	beta tubulin	0.0054	0.0108	0.0123
Leishmania major	alpha tubulin	0.0054	0.0106	0.0121
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE)	0.0032	0.0019	0.5
Mycobacterium ulcerans	glutaminase	0.0275	0.0976	0.2276
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0309	0.1109	0.1092
Trypanosoma brucei	alpha tubulin	0.0054	0.0106	0.0121
Trichomonas vaginalis	tubulin beta chain, putative	0.0054	0.0106	0.0909
Brugia malayi	tubulin alpha chain - mouse	0.0054	0.0106	0.0087
Toxoplasma gondii	catalase	0.0073	0.0183	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0021	0.001
Echinococcus granulosus	phosphoglycerate mutase	0.0032	0.0019	0.0019
Leishmania major	beta tubulin	0.0054	0.0108	0.0123
Schistosoma mansoni	hypothetical protein	0.2573	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0054	0.0108	0.0108
Echinococcus multilocularis	hypothetical protein	0.0054	0.0106	0.0095
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0177	0.0593	0.0592
Brugia malayi	serine/threonine protein kinase 6	0.005	0.0091	0.0072
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0032	0.0019	0.0008
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0034	0.0029	0.0106
Schistosoma mansoni	hypothetical protein	0.2573	1	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0019	0.0018
Echinococcus multilocularis	beta tubulin	0.0054	0.0108	0.0097
Leishmania major	alpha tubulin	0.0054	0.0106	0.0121
Echinococcus multilocularis	epidermal growth factor receptor	0.0073	0.0182	0.0171
Entamoeba histolytica	protein kinase, putative	0.005	0.0091	0.017
Echinococcus granulosus	aurora kinase A	0.005	0.0091	0.0091
Echinococcus multilocularis	fatty acid binding protein FABP2	0.0582	0.2183	0.2174
Schistosoma mansoni	glutaminase	0.0275	0.0976	0.0975
Leishmania major	protein kinase, putative	0.005	0.0091	0.0099
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0054	0.0106	0.0909
Echinococcus multilocularis	tubulin epsilon chain	0.0035	0.0031	0.002
Echinococcus multilocularis	Tubulin beta 2C chain	0.0054	0.0108	0.0097
Mycobacterium tuberculosis	Conserved protein	0.0032	0.0019	0.5
Toxoplasma gondii	alpha-tubulin I, putative	0.0054	0.0106	0.5326
Schistosoma mansoni	alpha tubulin	0.0054	0.0106	0.0105
Echinococcus multilocularis	tubulin alpha 1C chain	0.0054	0.0106	0.0095
Leishmania major	beta tubulin	0.0054	0.0108	0.0123
Echinococcus granulosus	Tubulin beta 2C chain	0.0054	0.0108	0.0108
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0076	0.0076
Entamoeba histolytica	hypothetical protein	0.0037	0.004	0.005
Plasmodium falciparum	serine/threonine protein kinase, putative	0.005	0.0091	0.8107
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0044	0.0069	0.0069
Echinococcus granulosus	sentrin specific protease 1	0.0047	0.008	0.008
Echinococcus granulosus	tubulin alpha 3 chain	0.0054	0.0106	0.0106
Schistosoma mansoni	hypothetical protein	0.0032	0.0021	0.002
Leishmania major	alpha tubulin	0.0054	0.0106	0.0121
Trichomonas vaginalis	AGC family protein kinase	0.005	0.0091	0.0748
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0039	0.0047	0.0046
Trichomonas vaginalis	AGC family protein kinase	0.005	0.0091	0.0748
Echinococcus granulosus	Tubulin beta 2C chain	0.0054	0.0108	0.0108
Echinococcus multilocularis	geminin	0.0171	0.0565	0.0555
Echinococcus multilocularis	tubulin alpha chain	0.0054	0.0106	0.0095
Loa Loa (eye worm)	TK/INSR protein kinase	0.0044	0.0069	0.0068
Schistosoma mansoni	fatty acid binding protein	0.0582	0.2183	0.2182
Loa Loa (eye worm)	tubulin beta chain	0.0054	0.0108	0.0107
Leishmania major	alpha tubulin	0.0054	0.0106	0.0121
Plasmodium vivax	tubulin gamma chain, putative	0.0035	0.0031	0.1367
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0027	0.0001	0.0001
Echinococcus granulosus	tubulin beta 4A class IVa	0.0054	0.0108	0.0108
Trypanosoma brucei	beta tubulin	0.0054	0.0108	0.0123
Trichomonas vaginalis	tubulin beta chain, putative	0.0054	0.0108	0.0923
Trichomonas vaginalis	tubulin gamma chain, putative	0.0054	0.0108	0.0923
Toxoplasma gondii	beta tubulin	0.0054	0.0108	0.5409
Loa Loa (eye worm)	hypothetical protein	0.0258	0.091	0.0909
Giardia lamblia	Aurora kinase	0.005	0.0091	0.0142
Trypanosoma cruzi	aurora B kinase, putative	0.005	0.0091	0.0099
Brugia malayi	Lipocalin / cytosolic fatty-acid binding protein family protein	0.0582	0.2183	0.2168
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.1835	0.7103	0.9828
Echinococcus multilocularis	tubulin gamma 1 chain	0.0035	0.0031	0.002
Trypanosoma brucei	epsilon tubulin	0.0035	0.0031	0.0017
Brugia malayi	Tubulin alpha-2 chain	0.0054	0.0106	0.0087
Echinococcus multilocularis	tubulin alpha chain	0.0054	0.0106	0.0095
Schistosoma mansoni	tyrosine kinase	0.007	0.017	0.0169
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0309	0.1109	0.1099
Leishmania major	gamma-tubulin	0.0035	0.0031	0.0017
Mycobacterium tuberculosis	Possible hydrolase MutT1	0.0032	0.0019	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0258	0.091	0.0892
Echinococcus multilocularis	phosphoglycerate mutase	0.0032	0.0019	0.0008
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0177	0.0593	0.0574
Loa Loa (eye worm)	tubulin alpha 2	0.0039	0.0047	0.0046
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0047	0.008	0.0079
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0054	0.0108	0.0923
Entamoeba histolytica	protein kinase domain containing protein	0.005	0.0091	0.017
Brugia malayi	Tubulin gamma chain	0.0035	0.0031	0.0012
Loa Loa (eye worm)	tubulin beta-2A chain	0.0054	0.0108	0.0107
Trichomonas vaginalis	tubulin alpha chain, putative	0.0054	0.0108	0.0923
Loa Loa (eye worm)	alpha-tubulin	0.0054	0.0106	0.0105
Echinococcus granulosus	tubulin alpha chain	0.0054	0.0106	0.0106
Loa Loa (eye worm)	alpha-tubulin	0.0054	0.0106	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0019	0.0018
Trypanosoma brucei	alpha tubulin	0.0054	0.0106	0.0121
Toxoplasma gondii	beta-1 tubulin, putative	0.0054	0.0108	0.5409
Schistosoma mansoni	tubulin subunit alpha	0.0054	0.0106	0.0105
Echinococcus multilocularis	insulin receptor	0.0044	0.0069	0.0058
Loa Loa (eye worm)	tubulin beta-4 chain	0.0054	0.0108	0.0107
Echinococcus granulosus	phosphoglycerate mutase	0.0032	0.0019	0.0019
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.1835	0.7103	0.9828
Echinococcus granulosus	tubulin subunit beta	0.0054	0.0108	0.0108
Echinococcus granulosus	alpha tubulin	0.0054	0.0106	0.0106
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0134	0.0421	0.0419
Echinococcus granulosus	GPCR family 2	0.0032	0.0021	0.0021
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0796	0.3024	0.4169
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0076	0.0075
Leishmania major	beta tubulin	0.0054	0.0108	0.0123
Trichomonas vaginalis	AGC family protein kinase	0.005	0.0091	0.0748
Echinococcus multilocularis	phosphoglycerate mutase	0.0032	0.0019	0.0008
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0032	0.0019	0.0008
Schistosoma mansoni	tyrosine kinase	0.0134	0.0421	0.0419
Trypanosoma cruzi	alpha tubulin, putative	0.0054	0.0106	0.0121
Mycobacterium leprae	Possible phosphoglycerate mutase	0.0032	0.0019	0.5
Schistosoma mansoni	hypothetical protein	0.0171	0.0565	0.0564
Echinococcus granulosus	tubulin alpha chain	0.0054	0.0106	0.0106
Mycobacterium tuberculosis	Glucosyl-3-phosphoglycerate phosphatase GpgP	0.0032	0.0019	0.5
Schistosoma mansoni	tubulin subunit alpha	0.0054	0.0106	0.0105
Mycobacterium tuberculosis	Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM)	0.0032	0.0019	0.5
Brugia malayi	Protein kinase domain containing protein	0.0044	0.0069	0.005
Entamoeba histolytica	tubulin gamma chain	0.0035	0.0031	0.0029
Schistosoma mansoni	hypothetical protein	0.0032	0.0021	0.002
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0054	0.0106	0.0909
Loa Loa (eye worm)	glutaminase	0.0275	0.0976	0.0975
Leishmania major	alpha tubulin	0.0054	0.0106	0.0121
Echinococcus granulosus	tubulin subunit TubB	0.0054	0.0106	0.0106
Entamoeba histolytica	hypothetical protein	0.0037	0.004	0.005
Trypanosoma brucei	alpha tubulin	0.0054	0.0106	0.0121
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0047	0.008	0.0631
Leishmania major	beta tubulin	0.0054	0.0108	0.0123
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM)	0.0032	0.0019	0.5
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0054	0.0108	0.0097
Schistosoma mansoni	tyrosine kinase	0.007	0.017	0.0169
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0309	0.1109	0.1109
Trypanosoma brucei	beta tubulin	0.0054	0.0108	0.0123
Schistosoma mansoni	protein kinase	0.005	0.0091	0.009
Echinococcus multilocularis	peroxisome assembly protein 26	0.0054	0.0106	0.0095
Echinococcus granulosus	Tubulin alpha 1 chain	0.0054	0.0106	0.0106
Leishmania major	alpha tubulin	0.0054	0.0106	0.0121
Mycobacterium leprae	conserved hypothetical protein	0.0032	0.0019	0.5
Leishmania major	alpha tubulin	0.0054	0.0106	0.0121
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0054	0.0106	0.0095
Leishmania major	beta tubulin	0.0054	0.0108	0.0123
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.0091	0.009
Echinococcus multilocularis	sentrin specific protease 1	0.0047	0.008	0.0069
Echinococcus granulosus	tubulin alpha 1C chain	0.0054	0.0106	0.0106
Trypanosoma brucei	epsilon tubulin	0.0035	0.0031	0.0017
Schistosoma mansoni	hypothetical protein	0.0032	0.0019	0.0018
Loa Loa (eye worm)	hypothetical protein	0.107	0.4098	0.4098
Echinococcus granulosus	tubulin alpha chain	0.0054	0.0106	0.0106
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0047	0.008	0.0079
Leishmania major	alpha tubulin	0.0054	0.0106	0.0121
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0076	0.0076
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.0167	0.0148
Echinococcus multilocularis	Tubulin beta 2C chain	0.0054	0.0108	0.0097
Leishmania major	beta tubulin	0.0054	0.0108	0.0123
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0034	0.0029	0.0028
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0032	0.0019	0.5
Schistosoma mansoni	phosphoglycerate mutase	0.0032	0.0019	0.0018
Onchocerca volvulus		0.0148	0.0476	0.0633
Trichomonas vaginalis	tubulin gamma chain, putative	0.0035	0.0031	0.0126
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0189	0.0638	0.0638
Echinococcus granulosus	peroxisome assembly protein 26	0.0054	0.0106	0.0106
Plasmodium vivax	tubulin alpha chain, putative	0.0054	0.0106	0.9847
Echinococcus multilocularis	tubulin alpha chain	0.0054	0.0106	0.0095
Schistosoma mansoni	hypothetical protein	0.0032	0.0019	0.0018
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.1102	0.4222	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0054	0.0106	0.0095
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.004	0.0029
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0796	0.3024	0.4169
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1866	0.7226	1
Echinococcus multilocularis	tubulin subunit beta	0.0054	0.0108	0.0097
Brugia malayi	serine/threonine kinase 12	0.005	0.0091	0.0072
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0054	0.0106	0.0095
Toxoplasma gondii	beta-tubulin, putative	0.0054	0.0108	0.5409
Echinococcus granulosus	Tubulin beta 2C chain	0.0054	0.0108	0.0108
Loa Loa (eye worm)	hypothetical protein	0.1866	0.7226	0.7226
Echinococcus multilocularis	Tubulin beta 2C chain	0.0054	0.0108	0.0097
Echinococcus granulosus	tubulin gamma 1 chain	0.0035	0.0031	0.0031
Brugia malayi	glutaminase DH11.1	0.0275	0.0976	0.0959
Plasmodium vivax	tubulin beta chain, putative	0.0054	0.0108	1
Echinococcus granulosus	epidermal growth factor receptor	0.0134	0.0421	0.0421
Toxoplasma gondii	alpha tubulin TUBA1	0.0054	0.0106	0.5326
Trichomonas vaginalis	tubulin beta chain, putative	0.0054	0.0106	0.0909
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0189	0.0638	0.0628
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqD	0.0032	0.0019	0.5
Echinococcus granulosus	epidermal growth factor receptor	0.0073	0.0182	0.0182
Trichomonas vaginalis	tubulin beta chain, putative	0.0054	0.0106	0.0909
Trypanosoma brucei	epsilon tubulin	0.0035	0.0031	0.0017
Entamoeba histolytica	protein kinase, putative	0.005	0.0091	0.017
Trypanosoma brucei	aurora B kinase	0.005	0.0091	0.0099
Schistosoma mansoni	tubulin subunit gamma	0.0035	0.0031	0.003
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.0796	0.3024	0.4169
Mycobacterium leprae	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0032	0.0019	0.5
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0019	0.0018
Echinococcus granulosus	tubulin alpha 3 chain	0.0054	0.0106	0.0106
Loa Loa (eye worm)	AUR protein kinase	0.005	0.0091	0.009
Schistosoma mansoni	fatty acid binding protein	0.0582	0.2183	0.2182
Trichomonas vaginalis	glutaminase, putative	0.0275	0.0976	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0076	0.0075
Plasmodium vivax	tubulin alpha chain, putative	0.0054	0.0106	0.9847
Giardia lamblia	Beta tubulin	0.0054	0.0108	0.0182
Leishmania major	beta tubulin	0.0054	0.0108	0.0123
Leishmania major	beta tubulin	0.0054	0.0108	0.0123
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0076	0.0075
Schistosoma mansoni	hypothetical protein	0.0032	0.0021	0.002
Brugia malayi	hypothetical protein	0.0037	0.004	0.0021
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.005	0.0091	0.8107
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0073	0.0182	0.0182
Schistosoma mansoni	tyrosine kinase	0.007	0.017	0.0169
Treponema pallidum	phosphoglyceromutase	0.0032	0.0019	0.5
Echinococcus granulosus	indoleamine 23 dioxygenase 2	0.2573	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0029	0.0028
Mycobacterium leprae	probable isochorismate synthase EntC	0.0032	0.0019	0.5
Schistosoma mansoni	tubulin subunit beta	0.0054	0.0108	0.0107
Loa Loa (eye worm)	BEN-1 protein	0.0054	0.0108	0.0107
Mycobacterium tuberculosis	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0032	0.0019	0.5
Trypanosoma cruzi	epsilon tubulin, putative	0.0035	0.0031	0.0017
Schistosoma mansoni	alpha tubulin	0.0054	0.0106	0.0105
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.005	0.0091	0.0091
Echinococcus granulosus	6 phosphofructo 2 kinase:fructose 2	0.1866	0.7226	0.7226
Echinococcus multilocularis	epidermal growth factor receptor	0.0134	0.0421	0.041
Leishmania major	beta tubulin	0.0054	0.0108	0.0123
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0054	0.0106	0.0909
Entamoeba histolytica	protein kinase , putative	0.005	0.0091	0.017
Schistosoma mansoni	tubulin subunit beta	0.0054	0.0108	0.0107
Schistosoma mansoni	6-phosphofructokinase	0.1866	0.7226	0.7226
Trypanosoma cruzi	epsilon tubulin, putative	0.0035	0.0031	0.0017
Loa Loa (eye worm)	phosphoglycerate mutase	0.0032	0.0019	0.0018
Loa Loa (eye worm)	tubulin alpha chain	0.0054	0.0106	0.0105
Trypanosoma brucei	beta tubulin	0.0054	0.0108	0.0123
Entamoeba histolytica	tubulin family protein	0.0054	0.0108	0.021
Echinococcus granulosus	tubulin epsilon chain	0.0035	0.0031	0.0031
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0309	0.1109	0.1108
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0044	0.0069	0.0058
Trichomonas vaginalis	tubulin gamma chain, putative	0.0035	0.0031	0.0126
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0021	0.001
Echinococcus granulosus	roundabout 2	0.0029	0.0011	0.0011
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0032	0.0019	0.0019
Plasmodium falciparum	tubulin gamma chain	0.0035	0.0031	0.1367
Loa Loa (eye worm)	AUR protein kinase	0.005	0.0091	0.009
Entamoeba histolytica	hypothetical protein	0.0037	0.004	0.005
Brugia malayi	Tubulin alpha-2 chain	0.0054	0.0106	0.0087
Giardia lamblia	Hypothetical protein	0.1102	0.4222	1
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1866	0.7226	1
Trypanosoma cruzi	tubulin gamma chain	0.0035	0.0031	0.0017
Echinococcus multilocularis	fatty acid binding protein FABP2	0.0582	0.2183	0.2174
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0167	0.0166
Schistosoma mansoni	hypothetical protein	0.0171	0.0565	0.0564
Leishmania major	alpha tubulin	0.0054	0.0106	0.0121
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0054	0.0106	0.0105
Echinococcus multilocularis	indoleamine 2,3 dioxygenase 2	0.2573	1	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0106	0.0105
Leishmania major	alpha tubulin	0.0054	0.0106	0.0121
Trypanosoma brucei	beta tubulin	0.0035	0.0031	0.0017
Echinococcus granulosus	fatty acid binding protein FABP2	0.0582	0.2183	0.2183
Loa Loa (eye worm)	hypothetical protein	0.0047	0.008	0.0079
Echinococcus multilocularis	phosphoglycerate mutase	0.0032	0.0019	0.0008
Echinococcus multilocularis	tubulin subunit TubB	0.0054	0.0106	0.0095
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.005	0.0091	0.017
Entamoeba histolytica	tubulin alpha chain, putative	0.0054	0.0106	0.0207
Echinococcus granulosus	Tubulin alpha 1 chain	0.0054	0.0106	0.0106
Schistosoma mansoni	hypothetical protein	0.0032	0.0019	0.0018
Leishmania major	alpha tubulin	0.0054	0.0106	0.0121
Entamoeba histolytica	tubulin family protein	0.0054	0.0108	0.021
Giardia lamblia	Alpha-tubulin	0.0054	0.0106	0.0179
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0076	0.0065
Leishmania major	beta tubulin	0.0054	0.0108	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0021	0.002
Loa Loa (eye worm)	beta-tubulin	0.0054	0.0108	0.0107
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0054	0.0106	0.0095
Mycobacterium tuberculosis	Conserved protein	0.0032	0.0019	0.5
Echinococcus multilocularis	beta tubulin	0.0054	0.0108	0.0097
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0021	0.0002
Onchocerca volvulus		0.1866	0.7226	1
Giardia lamblia	Alpha-tubulin	0.0054	0.0106	0.0179
Leishmania major	beta tubulin	0.0054	0.0108	0.0123
Echinococcus granulosus	insulin receptor	0.0044	0.0069	0.0069
Schistosoma mansoni	hypothetical protein	0.0032	0.0021	0.002
Loa Loa (eye worm)	tubulin alpha chain	0.0054	0.0106	0.0105
Echinococcus granulosus	tubulin alpha chain	0.0054	0.0106	0.0106
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.004	0.004
Trypanosoma brucei	tubulin gamma chain	0.0035	0.0031	0.0017
Echinococcus granulosus	phosphoglycerate mutase	0.0032	0.0019	0.0019
Echinococcus multilocularis	tubulin alpha 3 chain	0.0054	0.0106	0.0095
Giardia lamblia	Beta tubulin	0.0054	0.0108	0.0182
Echinococcus granulosus	phosphoglycerate mutase	0.0032	0.0019	0.0019
Brugia malayi	Furin-like cysteine rich region family protein	0.0134	0.0421	0.0402
Schistosoma mansoni	hypothetical protein	0.0032	0.0019	0.0018
Trichomonas vaginalis	tubulin alpha chain, putative	0.0035	0.0031	0.0126
Schistosoma mansoni	tubulin subunit beta	0.0054	0.0108	0.0107
Brugia malayi	serine/threonine-protein kinase 6	0.005	0.0091	0.0072
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.1835	0.7103	0.9828
Plasmodium falciparum	tubulin epsilon chain, putative	0.0035	0.0031	0.1367
Trichomonas vaginalis	tubulin, putative	0.0054	0.0108	0.0923
Echinococcus multilocularis	aurora kinase A	0.005	0.0091	0.008
Trichomonas vaginalis	tubulin beta chain, putative	0.0054	0.0106	0.0909
Loa Loa (eye worm)	tubulin beta-1 chain	0.0054	0.0108	0.0107
Echinococcus multilocularis	tubulin alpha	0.0035	0.0031	0.002
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.1102	0.4222	1
Schistosoma mansoni	tyrosine kinase	0.0073	0.0182	0.018
Mycobacterium leprae	conserved hypothetical protein	0.0032	0.0019	0.5
Echinococcus granulosus	Tubulin alpha 1 chain	0.0054	0.0106	0.0106
Echinococcus multilocularis	phosphoglycerate mutase	0.0032	0.0019	0.0008
Echinococcus multilocularis		0.0041	0.0055	0.0044
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0796	0.3024	0.4169
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0035	0.0031	0.0739
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.005	0.0091	0.017
Loa Loa (eye worm)	BEN-1 protein	0.0054	0.0108	0.0107
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0039	0.0047	0.0293
Schistosoma mansoni	tubulin subunit beta	0.0054	0.0108	0.0107
Loa Loa (eye worm)	hypothetical protein	0.1835	0.7103	0.7102
Giardia lamblia	Beta tubulin	0.0054	0.0108	0.0182
Echinococcus granulosus	fatty acid binding protein FABP2	0.0582	0.2183	0.2183
Brugia malayi	Tubulin alpha chain	0.0054	0.0106	0.0087
Echinococcus granulosus	tubulin alpha	0.0035	0.0031	0.0031
Leishmania major	beta tubulin	0.0054	0.0108	0.0123
Onchocerca volvulus	Tyrosine kinase homolog	0.0153	0.0497	0.0663
Plasmodium falciparum	alpha tubulin 2	0.0054	0.0106	0.9847
Trypanosoma brucei	beta tubulin	0.0054	0.0108	0.0123
Leishmania major	beta tubulin	0.0054	0.0108	0.0123
Schistosoma mansoni	tubulin subunit epsilon	0.0035	0.0031	0.003
Echinococcus multilocularis	tubulin alpha chain	0.0054	0.0106	0.0095
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.0293	0.0292
Echinococcus multilocularis	phosphoglycerate mutase	0.0032	0.0019	0.0008
Mycobacterium leprae	POSSIBLE HYDROLASE MUTT1	0.0032	0.0019	0.5
Echinococcus multilocularis	tubulin beta 1 chain	0.0054	0.0108	0.0097
Brugia malayi	tubulin alpha-2 chain	0.0054	0.0106	0.0087
Schistosoma mansoni	tubulin subunit beta	0.0054	0.0108	0.0107
Giardia lamblia	Hypothetical protein	0.1102	0.4222	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0076	0.0057
Echinococcus multilocularis	tubulin alpha 1C chain	0.0054	0.0106	0.0095
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0032	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0011	0.001
Leishmania major	epsilon tubulin, putative	0.0035	0.0031	0.0017
Brugia malayi	alpha-tubulin	0.0054	0.0106	0.0087
Mycobacterium leprae	conserved hypothetical protein	0.0032	0.0019	0.5
Trypanosoma cruzi	beta tubulin, putative	0.0054	0.0108	0.0123
Echinococcus multilocularis	tubulin alpha chain	0.0054	0.0106	0.0095
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0021	0.0021
Loa Loa (eye worm)	tubulin gamma chain	0.0035	0.0031	0.003
Echinococcus granulosus	beta tubulin	0.0054	0.0108	0.0108
Echinococcus granulosus	tubulin beta 1 chain	0.0054	0.0108	0.0108
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.0293	0.0274
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0309	0.1109	0.1108
Schistosoma mansoni	hypothetical protein	0.0032	0.0019	0.0018
Schistosoma mansoni	phosphoglycerate mutase	0.0032	0.0019	0.0018
Trichomonas vaginalis	tubulin beta chain, putative	0.0054	0.0106	0.0909
Plasmodium falciparum	alpha tubulin 1	0.0054	0.0106	0.9847
Mycobacterium ulcerans	hypothetical protein	0.1102	0.4222	1
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0047	0.008	0.0144
Brugia malayi	beta-tubulin, identical	0.0054	0.0108	0.0088
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.1866	0.7226	0.7223
Schistosoma mansoni	tubulin subunit beta	0.0054	0.0108	0.0107
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0076	0.0075
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0054	0.0108	0.0923
Schistosoma mansoni	tyrosine kinase	0.0073	0.0182	0.018
Echinococcus granulosus	geminin	0.0171	0.0565	0.0565
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1835	0.7103	0.9828
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1866	0.7226	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0054	0.0108	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0019	0.0018
Plasmodium vivax	sentrin-specific protease 1, putative	0.0047	0.008	0.6838

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 52 uM	Inhibition of hepatitis C virus (HCV) NS3 protease.	ChEMBL.	9873610
IC50 (binding)	= 120 uM	Compound was tested for inhibition of human leucocyte elastase (HLE)	ChEMBL.	9873610
IC50 (binding)	= 206 uM	Compound was tested for inhibition of porcine pancreatic elastase (PPE)	ChEMBL.	9873610
IC50 (binding)	> 1000 uM	Compound was tested for inhibition of human liver Cathepsin B	ChEMBL.	9873610

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: CHEMBL2370189

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1746061