TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 346.335 | Formula: C17H18N2O6
H donors: 1 H acceptors: 4 LogP: 3.25 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NC(Cc1ccccc1)(C)C)COC(=O)c1ccc(o1)[N+](=O)[O-]
InChi: 1S/C17H18N2O6/c1-17(2,10-12-6-4-3-5-7-12)18-14(20)11-24-16(21)13-8-9-15(25-13)19(22)23/h3-9H,10-11H2,1-2H3,(H,18,20)
InChiKey: CPEFPZODZRHIRG-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
Human immunodeficiency virus 1	Reverse transcriptase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium yoelii	integrase-related	Get druggable targets OG5_139608	All targets in OG5_139608
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_139608	All targets in OG5_139608
Trypanosoma congolense	RNA helicase, putative	Get druggable targets OG5_139608	All targets in OG5_139608
Trypanosoma brucei	RNA helicase, putative	Get druggable targets OG5_139608	All targets in OG5_139608

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Dictyostelium discoideum	hypothetical protein	Reverse transcriptase	259 aa	245 aa	25.7 %
Candida albicans	polyprotein of retrotransposon Tca8	Reverse transcriptase	259 aa	238 aa	26.5 %
Candida albicans	hypothetical protein	Reverse transcriptase	259 aa	223 aa	29.1 %
Candida albicans	ReverseTranscriptase similar to fruit fly Tom element	Reverse transcriptase	259 aa	244 aa	27.9 %
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	Reverse transcriptase	259 aa	227 aa	26.4 %
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	Reverse transcriptase	259 aa	227 aa	26.4 %
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	Reverse transcriptase	259 aa	208 aa	26.4 %
Dictyostelium discoideum	hypothetical protein	Reverse transcriptase	259 aa	222 aa	22.5 %
Dictyostelium discoideum	hypothetical protein	Reverse transcriptase	259 aa	226 aa	24.3 %
Trypanosoma congolense	Retroviral aspartyl protease/Reverse transcriptase (RNA-dependent DNA polymerase)/RNase H, putative	Reverse transcriptase	259 aa	237 aa	29.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Giardia lamblia	Alpha-tubulin	0.035	0.7509	0.7335
Echinococcus granulosus	TNFR CD27 30 40 95 cysteine rich region	0.013	0.265	0.265
Schistosoma mansoni	lipoxygenase	0.0234	0.4934	0.4928
Echinococcus multilocularis	Tubulin alpha 1 chain	0.035	0.7509	0.7509
Echinococcus granulosus	Tubulin beta 2C chain	0.0463	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0463	1	1
Loa Loa (eye worm)	tubulin beta chain	0.0109	0.2181	0.2181
Onchocerca volvulus		0.0142	0.291	0.5471
Leishmania major	beta tubulin	0.0463	1	1
Plasmodium falciparum	tubulin delta chain, putative	0.0109	0.2181	0.217
Trichomonas vaginalis	tubulin beta chain, putative	0.0463	1	1
Treponema pallidum	cell division protein FtsZ	0.0109	0.2181	0.5
Echinococcus granulosus	tubulin beta 1 chain	0.0463	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0011	0.0013	0.0013
Onchocerca volvulus		0.0039	0.0638	0.118
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0011	0.0013	0.0013
Echinococcus multilocularis	tubulin alpha 1C chain	0.035	0.7509	0.7509
Echinococcus multilocularis	tubulin alpha chain	0.035	0.7509	0.7509
Brugia malayi	Tubulin alpha-2 chain	0.035	0.7509	0.7505
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0463	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0111	0.2229	0.2229
Trypanosoma brucei	beta tubulin	0.0463	1	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.1659	0.1659
Echinococcus granulosus	multidrug resistance protein 1	0.0011	0.0013	0.0013
Echinococcus multilocularis	Tubulin beta 2C chain	0.0463	1	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0044	0.0741	0.0729
Echinococcus granulosus	Tubulin beta 2C chain	0.0463	1	1
Trypanosoma cruzi	tubulin delta chain	0.0109	0.2181	0.1624
Trypanosoma brucei	alpha tubulin	0.035	0.7509	0.7331
Schistosoma mansoni	ATP-binding cassette sub-family g2 (white protein) (abcg2)	0.004	0.0665	0.0653
Echinococcus granulosus	multidrug resistance protein 1	0.0011	0.0013	0.0013
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0035	0.0552	0.0552
Trichomonas vaginalis	tubulin gamma chain, putative	0.0109	0.2181	0.217
Echinococcus granulosus	Tubulin beta 2C chain	0.0463	1	1
Brugia malayi	RNA binding protein	0.0062	0.1133	0.1122
Trichomonas vaginalis	penicillin-binding protein, putative	0.0044	0.0741	0.0729
Echinococcus multilocularis	geminin	0.0189	0.3946	0.3946
Trypanosoma brucei	epsilon tubulin	0.0251	0.5315	0.4981
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0164	0.3397	0.3389
Brugia malayi	alpha-tubulin	0.035	0.7509	0.7505
Brugia malayi	Tubulin alpha chain	0.0109	0.2181	0.217
Toxoplasma gondii	alpha tubulin TUBA1	0.035	0.7509	0.7505
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0011	0.0013	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0638	0.0638
Trypanosoma brucei	alpha tubulin	0.035	0.7509	0.7331
Brugia malayi	ABC transporter family protein	0.0034	0.053	0.0518
Trichomonas vaginalis	D-aminoacylase, putative	0.0044	0.0741	0.0729
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0251	0.5308	0.5302
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0234	0.4934	0.4934
Schistosoma mansoni	hypothetical protein	0.0039	0.0638	0.0626
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.0741	0.0082
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.1133	0.1133
Loa Loa (eye worm)	alpha-tubulin	0.035	0.7509	0.7509
Echinococcus multilocularis	Tubulin beta 2C chain	0.0463	1	1
Leishmania major	alpha tubulin	0.035	0.7509	0.7505
Schistosoma mansoni	ABC transporter	0.0034	0.053	0.0518
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0044	0.0741	0.0729
Mycobacterium ulcerans	lipase LipD	0.0044	0.0741	0.0164
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0102	0.2027	0.2027
Leishmania major	beta tubulin	0.0463	1	1
Loa Loa (eye worm)	apoptosis regulator protein	0.0164	0.3397	0.3397
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0011	0.0013	0.0013
Echinococcus granulosus	GPCR family 2	0.0035	0.0552	0.0552
Leishmania major	beta tubulin	0.0463	1	1
Schistosoma mansoni	hypothetical protein	0.0167	0.3454	0.3445
Giardia lamblia	Beta tubulin	0.0463	1	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0035	0.0552	0.0552
Brugia malayi	Doublecortin family protein	0.0039	0.0638	0.0626
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0044	0.0741	0.0729
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1133	0.1122
Loa Loa (eye worm)	tubulin alpha chain	0.035	0.7509	0.7509
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0011	0.0013	0.0013
Echinococcus granulosus	beta tubulin	0.0463	1	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0035	0.0552	0.0552
Schistosoma mansoni	tubulin subunit beta	0.0109	0.2181	0.217
Echinococcus multilocularis	tubulin alpha chain	0.035	0.7509	0.7509
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0044	0.0741	0.1227
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0463	1	1
Echinococcus multilocularis	tumor necrosis factor receptor superfamily	0.013	0.265	0.265
Mycobacterium tuberculosis	Probable lipase LipE	0.0044	0.0741	0.1227
Schistosoma mansoni	tubulin subunit beta	0.0463	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0102	0.2027	0.2017
Echinococcus granulosus	alpha tubulin	0.035	0.7509	0.7509
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0241	0.5103	0.5103
Brugia malayi	Tubulin alpha chain	0.035	0.7509	0.7505
Echinococcus multilocularis	tubulin subunit beta	0.0463	1	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.035	0.7509	0.7509
Giardia lamblia	Delta tubulin	0.0109	0.2181	0.1635
Leishmania major	beta tubulin	0.0463	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0011	0.0013	0.0013
Toxoplasma gondii	beta-tubulin, putative	0.0463	1	1
Loa Loa (eye worm)	tubulin gamma chain	0.0251	0.5315	0.5315
Plasmodium falciparum	alpha tubulin 1	0.035	0.7509	0.7505
Loa Loa (eye worm)	tubulin alpha 2	0.0241	0.5103	0.5103
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0011	0.0013	0.0013
Mycobacterium tuberculosis	Probable hydrolase	0.0044	0.0741	0.1227
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0044	0.0741	0.0741
Loa Loa (eye worm)	hypothetical protein	0.0111	0.2229	0.2229
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0251	0.5308	1
Trichomonas vaginalis	tubulin beta chain, putative	0.035	0.7509	0.7505
Echinococcus multilocularis	Ankyrin	0.0085	0.1659	0.1659
Mycobacterium tuberculosis	Probable lipase LipD	0.0044	0.0741	0.1227
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0044	0.0741	0.1227
Echinococcus granulosus	death domain containing protein	0.0085	0.1659	0.1659
Schistosoma mansoni	hypothetical protein	0.0035	0.0552	0.054
Loa Loa (eye worm)	tubulin beta-4 chain	0.0463	1	1
Mycobacterium tuberculosis	Conserved protein	0.0044	0.0741	0.1227
Brugia malayi	Death domain containing protein	0.0085	0.1659	0.1648
Schistosoma mansoni	rab6-interacting	0.0039	0.0638	0.0626
Mycobacterium tuberculosis	Probable conserved transmembrane ATP-binding protein ABC transporter	0.0034	0.0517	0.085
Toxoplasma gondii	beta-1 tubulin, putative	0.0463	1	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0044	0.0741	0.0729
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0251	0.5308	0.5302
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0251	0.5308	0.5302
Schistosoma mansoni	apoptosis regulator bax	0.0164	0.3397	0.3389
Plasmodium vivax	ABC transporter G family member 2, putative	0.004	0.0665	0.0653
Plasmodium vivax	tubulin gamma chain, putative	0.0251	0.5315	0.5309
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0251	0.5308	0.5302
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1133	0.1122
Loa Loa (eye worm)	alpha-tubulin	0.035	0.7509	0.7509
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.2181	0.217
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0111	0.2229	0.222
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0039	0.0638	0.0638
Echinococcus granulosus	Tubulin beta 2C chain	0.0463	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.1133	0.1133
Echinococcus granulosus	tubulin alpha 1C chain	0.035	0.7509	0.7509
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0552	0.0552
Loa Loa (eye worm)	tubulin alpha 2	0.0241	0.5103	0.5103
Plasmodium vivax	multidomain scavenger receptor, putative	0.0039	0.0638	0.0626
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1133	0.1122
Trichomonas vaginalis	tubulin, putative	0.0142	0.291	0.2901
Leishmania major	beta tubulin	0.0463	1	1
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0085	0.1659	0.1659
Brugia malayi	Tubulin alpha-2 chain	0.035	0.7509	0.7505
Echinococcus multilocularis	tubulin alpha	0.0251	0.5315	0.5315
Echinococcus granulosus	ATP binding cassette sub family G	0.004	0.0665	0.0665
Loa Loa (eye worm)	multidrug resistance protein 3	0.0011	0.0013	0.0013
Mycobacterium tuberculosis	Conserved protein	0.0044	0.0741	0.1227
Schistosoma mansoni	hypothetical protein	0.0085	0.1659	0.1648
Echinococcus multilocularis	ATP binding cassette sub family G	0.004	0.0665	0.0665
Leishmania major	ATP-binding cassette protein subfamily G, member 4, putative	0.004	0.0665	0.0653
Echinococcus granulosus	tubulin subunit beta	0.0463	1	1
Plasmodium falciparum	alpha tubulin 2	0.035	0.7509	0.7505
Brugia malayi	hypothetical protein	0.0039	0.0638	0.0626
Echinococcus multilocularis	Tubulin beta 2C chain	0.0463	1	1
Giardia lamblia	Alpha-tubulin	0.035	0.7509	0.7335
Leishmania major	gamma-tubulin	0.0251	0.5315	0.5309
Echinococcus granulosus	Tubulin alpha 1 chain	0.035	0.7509	0.7509
Brugia malayi	Uncoordinated protein 44	0.0085	0.1659	0.1648
Loa Loa (eye worm)	tubulin alpha chain	0.035	0.7509	0.7509
Schistosoma mansoni	hypothetical protein	0.0035	0.0552	0.054
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1133	0.1122
Plasmodium falciparum	LCCL domain-containing protein	0.0039	0.0638	0.0626
Leishmania major	alpha tubulin	0.035	0.7509	0.7505
Trichomonas vaginalis	tubulin gamma chain, putative	0.0251	0.5315	0.5309
Trichomonas vaginalis	tubulin alpha chain, putative	0.0251	0.5315	0.5309
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0741	0.0741
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0109	0.2181	0.217
Trypanosoma brucei	alpha tubulin	0.035	0.7509	0.7331
Loa Loa (eye worm)	ABC transporter	0.0034	0.053	0.053
Onchocerca volvulus		0.0039	0.0638	0.118
Toxoplasma gondii	beta tubulin	0.0463	1	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0044	0.0741	0.0729
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.035	0.7509	0.7505
Trichomonas vaginalis	tubulin beta chain, putative	0.035	0.7509	0.7505
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0044	0.0741	0.0164
Leishmania major	alpha tubulin	0.035	0.7509	0.7505
Entamoeba histolytica	ABC transporter, putative	0.004	0.0665	0.0653
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0109	0.2181	0.5
Leishmania major	beta tubulin	0.0463	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0463	1	1
Loa Loa (eye worm)	BEN-1 protein	0.0463	1	1
Leishmania major	hypothetical protein, conserved	0.0044	0.0741	0.0729
Mycobacterium ulcerans	cell division protein FtsZ	0.0109	0.2181	0.3264
Leishmania major	alpha tubulin	0.035	0.7509	0.7505
Entamoeba histolytica	tubulin family protein	0.0463	1	1
Schistosoma mansoni	tubulin subunit alpha	0.035	0.7509	0.7505
Loa Loa (eye worm)	hypothetical protein	0.035	0.7509	0.7509
Schistosoma mansoni	hypothetical protein	0.0164	0.3397	0.3389
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0102	0.2027	0.2027
Schistosoma mansoni	tubulin subunit alpha	0.035	0.7509	0.7505
Echinococcus granulosus	tubulin subunit TubB	0.035	0.7509	0.7509
Echinococcus granulosus	beta tubulin	0.0463	1	1
Echinococcus granulosus	ATP binding cassette sub family G	0.004	0.0665	0.0665
Schistosoma mansoni	netrin receptor unc5	0.0085	0.1659	0.1648
Schistosoma mansoni	loxhd1	0.0039	0.0638	0.0626
Onchocerca volvulus		0.0044	0.0741	0.1375
Schistosoma mansoni	tubulin subunit gamma	0.0251	0.5315	0.5309
Echinococcus multilocularis	Tubulin alpha 1 chain	0.035	0.7509	0.7509
Mycobacterium leprae	cell division protein FtsZ	0.0109	0.2181	1
Brugia malayi	Cell division protein ftsZ	0.0109	0.2181	0.217
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0164	0.3397	0.3397
Toxoplasma gondii	alpha-tubulin I, putative	0.035	0.7509	0.7505
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0463	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0102	0.2027	0.2027
Entamoeba histolytica	tubulin alpha chain, putative	0.035	0.7509	0.7505
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0035	0.0552	0.0552
Echinococcus granulosus	tubulin epsilon chain	0.0251	0.5315	0.5315
Trypanosoma brucei	alpha tubulin	0.035	0.7509	0.7331
Trichomonas vaginalis	tubulin epsilon chain, putative	0.035	0.7509	0.7505
Trypanosoma brucei	alpha tubulin, putative	0.0142	0.291	0.2405
Trichomonas vaginalis	tubulin, putative	0.0463	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0102	0.2027	0.2017
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0085	0.1659	0.1659
Brugia malayi	MH2 domain containing protein	0.0119	0.241	0.24
Echinococcus multilocularis	peroxisome assembly protein 26	0.035	0.7509	0.7509
Echinococcus granulosus	multidrug resistance protein 1	0.0011	0.0013	0.0013
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0251	0.5308	0.4981
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0102	0.2027	0.2027
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.028	0.5945	1
Giardia lamblia	Gamma tubulin	0.0251	0.5315	0.4988
Schistosoma mansoni	hypothetical protein	0.0164	0.3397	0.3389
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0164	0.3397	0.3389
Plasmodium vivax	hypothetical protein, conserved	0.0044	0.0741	0.0729
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0102	0.2027	0.2017
Echinococcus granulosus	netrin receptor unc 5	0.0085	0.1659	0.1659
Loa Loa (eye worm)	doublecortin family protein	0.0039	0.0638	0.0638
Leishmania major	alpha tubulin	0.035	0.7509	0.7505
Echinococcus multilocularis	tubulin alpha chain	0.035	0.7509	0.7509
Leishmania major	delta tubulin, putative	0.0109	0.2181	0.217
Brugia malayi	Protein kinase domain containing protein	0.0085	0.1659	0.1648
Echinococcus multilocularis	multidrug resistance protein 1	0.0011	0.0013	0.0013
Plasmodium vivax	tubulin epsilon chain, putative	0.0251	0.5315	0.5309
Trypanosoma brucei	epsilon tubulin	0.0251	0.5315	0.4981
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0142	0.291	0.2901
Trypanosoma brucei	tubulin delta chain	0.0109	0.2181	0.1624
Trichomonas vaginalis	tubulin gamma chain, putative	0.0251	0.5315	0.5309
Schistosoma mansoni	hypothetical protein	0.0035	0.0552	0.054
Brugia malayi	latrophilin 2 splice variant baaae	0.0076	0.1453	0.1442
Schistosoma mansoni	alpha tubulin	0.035	0.7509	0.7505
Echinococcus granulosus	ATP binding cassette sub family G	0.004	0.0665	0.0665
Schistosoma mansoni	alpha tubulin	0.035	0.7509	0.7505
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0035	0.0552	0.054
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0251	0.5308	0.8926
Echinococcus granulosus	tumor necrosis factor receptor superfamily	0.013	0.265	0.265
Schistosoma mansoni	hypothetical protein	0.0034	0.0517	0.0505
Echinococcus granulosus	beta LACTamase domain containing family member	0.0044	0.0741	0.0741
Trichomonas vaginalis	tubulin beta chain, putative	0.0142	0.291	0.2901
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0251	0.5308	0.5302
Echinococcus granulosus	tubulin alpha	0.0251	0.5315	0.5315
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0044	0.0741	0.1227
Echinococcus multilocularis	tubulin epsilon chain	0.0251	0.5315	0.5315
Leishmania major	alpha tubulin	0.035	0.7509	0.7505
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0164	0.3397	0.3397
Schistosoma mansoni	rab6-interacting	0.0039	0.0638	0.0626
Trichomonas vaginalis	tubulin beta chain, putative	0.035	0.7509	0.7505
Leishmania major	beta tubulin	0.0463	1	1
Giardia lamblia	Beta tubulin	0.0463	1	1
Schistosoma mansoni	tubulin subunit beta	0.0463	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0142	0.291	0.2901
Leishmania major	alpha tubulin	0.035	0.7509	0.7505
Echinococcus granulosus	tubulin alpha 3 chain	0.035	0.7509	0.7509
Echinococcus multilocularis	netrin receptor unc 5	0.0085	0.1659	0.1659
Brugia malayi	Tubulin beta chain	0.0142	0.291	0.2901
Brugia malayi	TAR-binding protein	0.0062	0.1133	0.1122
Loa Loa (eye worm)	hypothetical protein	0.0208	0.4374	0.4374
Trichomonas vaginalis	tubulin alpha chain, putative	0.0142	0.291	0.2901
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0234	0.4934	0.4934
Echinococcus multilocularis	GPCR, family 2	0.0035	0.0552	0.0552
Trypanosoma cruzi	tubulin gamma chain	0.0251	0.5315	0.4981
Schistosoma mansoni	tumor necrosis factor receptor related	0.013	0.265	0.264
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0251	0.5308	0.5302
Leishmania major	beta tubulin	0.0463	1	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0044	0.0741	0.1227
Entamoeba histolytica	tubulin family protein	0.0463	1	1
Onchocerca volvulus		0.0251	0.5308	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0011	0.0013	0.0013
Echinococcus granulosus	Tubulin alpha 1 chain	0.035	0.7509	0.7509
Trypanosoma cruzi	epsilon tubulin, putative	0.0251	0.5315	0.4981
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0011	0.0013	0.5
Trichomonas vaginalis	tubulin beta chain, putative	0.035	0.7509	0.7505
Leishmania major	beta tubulin	0.0463	1	1
Trypanosoma cruzi	beta tubulin, putative	0.0463	1	1
Echinococcus granulosus	peroxisome assembly protein 26	0.035	0.7509	0.7509
Echinococcus granulosus	tubulin alpha chain	0.035	0.7509	0.7509
Echinococcus multilocularis	ATP binding cassette sub family G	0.004	0.0665	0.0665
Trypanosoma brucei	epsilon tubulin	0.0251	0.5315	0.4981
Plasmodium falciparum	ABC transporter G family member 2	0.004	0.0665	0.0653
Plasmodium falciparum	tubulin gamma chain	0.0251	0.5315	0.5309
Leishmania major	alpha tubulin	0.035	0.7509	0.7505
Entamoeba histolytica	tubulin gamma chain	0.0251	0.5315	0.5309
Schistosoma mansoni	hypothetical protein	0.0076	0.1453	0.1442
Plasmodium vivax	delta tubulin, putative	0.0109	0.2181	0.217
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0251	0.5308	0.5308
Trichomonas vaginalis	conserved hypothetical protein	0.0109	0.2181	0.217
Schistosoma mansoni	lipoxygenase	0.0163	0.3382	0.3373
Loa Loa (eye worm)	BEN-1 protein	0.0463	1	1
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0208	0.4374	0.4374
Trichomonas vaginalis	D-aminoacylase, putative	0.0044	0.0741	0.0729
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0741	0.0741
Onchocerca volvulus		0.0044	0.0741	0.1375
Echinococcus multilocularis	Tubulin alpha 1 chain	0.035	0.7509	0.7509
Loa Loa (eye worm)	tubulin beta-1 chain	0.0463	1	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0013	0.0013
Echinococcus granulosus	tubulin alpha chain	0.035	0.7509	0.7509
Leishmania major	beta tubulin	0.0463	1	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.1133	0.1133
Echinococcus multilocularis	Polycystic kidney disease protein	0.0039	0.0638	0.0638
Leishmania major	beta tubulin	0.0463	1	1
Echinococcus granulosus	geminin	0.0189	0.3946	0.3946
Echinococcus granulosus	tubulin gamma 1 chain	0.0251	0.5315	0.5315
Toxoplasma gondii	ATP-binding cassette G family transporter ABCG84	0.004	0.0665	0.0653
Echinococcus multilocularis	beta tubulin	0.0463	1	1
Echinococcus multilocularis	tubulin alpha chain	0.035	0.7509	0.7509
Echinococcus granulosus	RUN	0.0039	0.0638	0.0638
Leishmania major	alpha tubulin	0.035	0.7509	0.7505
Echinococcus multilocularis	ATP binding cassette sub family G	0.004	0.0665	0.0665
Echinococcus multilocularis	tubulin gamma 1 chain	0.0251	0.5315	0.5315
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0251	0.5315	0.5309
Plasmodium vivax	tubulin alpha chain, putative	0.035	0.7509	0.7505
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0039	0.0638	0.0638
Mycobacterium tuberculosis	Conserved protein	0.0044	0.0741	0.1227
Trypanosoma brucei	beta tubulin	0.0463	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0208	0.4374	0.4367
Echinococcus multilocularis	TNFR CD27 30 40 95 cysteine rich region	0.013	0.265	0.265
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0109	0.2181	0.217
Leishmania major	alpha tubulin	0.035	0.7509	0.7505
Giardia lamblia	Beta tubulin	0.0463	1	1
Trypanosoma cruzi	zeta tubulin, putative	0.0109	0.2181	0.1624
Brugia malayi	tubulin alpha-2 chain	0.035	0.7509	0.7505
Echinococcus granulosus	tubulin alpha chain	0.035	0.7509	0.7509
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.241	0.241
Loa Loa (eye worm)	hypothetical protein	0.0164	0.3397	0.3397
Loa Loa (eye worm)	beta-lactamase	0.0044	0.0741	0.0741
Trichomonas vaginalis	tubulin epsilon chain, putative	0.035	0.7509	0.7505
Trichomonas vaginalis	tubulin beta chain, putative	0.035	0.7509	0.7505
Trichomonas vaginalis	tubulin, putative	0.0142	0.291	0.2901
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0741	0.0741
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0085	0.1659	0.1659
Schistosoma mansoni	tubulin subunit epsilon	0.0251	0.5315	0.5309
Leishmania major	alpha tubulin	0.035	0.7509	0.7505
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0011	0.0013	0.0013
Schistosoma mansoni	hypothetical protein	0.0189	0.3946	0.3939
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.0741	0.0082
Onchocerca volvulus	Netrin receptor homolog	0.0085	0.1659	0.3108
Trichomonas vaginalis	tubulin alpha chain, putative	0.0142	0.291	0.2901
Brugia malayi	Tubulin gamma chain	0.0251	0.5315	0.5309
Trichomonas vaginalis	tubulin beta-1 chain, putative	0.0109	0.2181	0.217
Schistosoma mansoni	tubulin subunit alpha	0.0109	0.2181	0.217
Echinococcus granulosus	tubulin alpha chain	0.035	0.7509	0.7509
Leishmania major	epsilon tubulin, putative	0.0251	0.5315	0.5309
Trichomonas vaginalis	tubulin beta chain, putative	0.035	0.7509	0.7505
Loa Loa (eye worm)	RNA binding protein	0.0062	0.1133	0.1133
Brugia malayi	N-terminal motif family protein	0.0175	0.3645	0.3637
Echinococcus multilocularis	beta tubulin	0.0463	1	1
Loa Loa (eye worm)	tubulin beta chain	0.0463	1	1
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0109	0.2181	0.3654
Trypanosoma brucei	zeta tubulin	0.0109	0.2181	0.1624
Echinococcus multilocularis	multidrug resistance protein 1	0.0011	0.0013	0.0013
Schistosoma mansoni	ankyrin 23/unc44	0.0085	0.1659	0.1648
Echinococcus multilocularis	tubulin subunit TubB	0.035	0.7509	0.7509
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0102	0.2027	0.2027
Brugia malayi	beta-tubulin, identical	0.0463	1	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0035	0.0552	0.0552
Echinococcus granulosus	tubulin alpha 3 chain	0.035	0.7509	0.7509
Plasmodium vivax	tubulin alpha chain, putative	0.035	0.7509	0.7505
Schistosoma mansoni	tubulin subunit delta	0.0109	0.2181	0.217
Trypanosoma brucei	RNA helicase, putative	0.0167	0.3454	0.2987
Echinococcus multilocularis	RUN	0.0039	0.0638	0.0638
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0085	0.1659	0.1648
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0251	0.5308	0.5302
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0175	0.3645	0.686
Trypanosoma brucei	hypothetical protein, conserved	0.0044	0.0741	0.0082
Loa Loa (eye worm)	tubulin alpha 2	0.0099	0.1969	0.1969
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0741	0.0741
Schistosoma mansoni	hypothetical protein	0.0164	0.3397	0.3389
Trypanosoma cruzi	tubulin delta chain	0.0109	0.2181	0.1624
Loa Loa (eye worm)	beta-tubulin	0.0463	1	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0741	0.0741
Trichomonas vaginalis	tubulin gamma chain, putative	0.0463	1	1
Leishmania major	zeta tubulin, putative	0.0109	0.2181	0.217
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0741	0.0741
Echinococcus multilocularis	tubulin beta 1 chain	0.0463	1	1
Trichomonas vaginalis	tubulin, putative	0.0109	0.2181	0.217
Trypanosoma brucei	zeta tubulin, putative	0.0109	0.2181	0.1624
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0241	0.5103	0.5097
Schistosoma mansoni	tubulin subunit beta	0.0463	1	1
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.1133	0.1122
Loa Loa (eye worm)	tubulin beta-2A chain	0.0463	1	1
Brugia malayi	Tubulin beta chain	0.0109	0.2181	0.217
Mycobacterium ulcerans	esterase/lipase LipP	0.0044	0.0741	0.0164
Leishmania major	alpha tubulin	0.035	0.7509	0.7505
Echinococcus multilocularis	tubulin alpha 3 chain	0.035	0.7509	0.7509
Entamoeba histolytica	tubulin alpha-1 chain	0.035	0.7509	0.7505
Brugia malayi	tubulin alpha chain - mouse	0.035	0.7509	0.7505
Schistosoma mansoni	alpha tubulin	0.035	0.7509	0.7505
Trypanosoma brucei	beta tubulin	0.0463	1	1
Echinococcus granulosus	tar DNA binding protein	0.0062	0.1133	0.1133
Brugia malayi	Latrophilin receptor protein 2	0.0035	0.0552	0.054
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1453	0.1453
Schistosoma mansoni	polycystin 1-related	0.0039	0.0638	0.0626
Leishmania major	beta tubulin	0.0463	1	1
Plasmodium vivax	tubulin beta chain, putative	0.0463	1	1
Leishmania major	beta tubulin	0.0463	1	1
Schistosoma mansoni	hypothetical protein	0.0189	0.3946	0.3939
Toxoplasma gondii	ABC1 family protein	0.0044	0.0741	0.0729
Echinococcus granulosus	Tubulin alpha 1 chain	0.035	0.7509	0.7509
Loa Loa (eye worm)	hypothetical protein	0.0241	0.5103	0.5103
Brugia malayi	beta-lactamase family protein	0.0044	0.0741	0.0729
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0044	0.0741	0.0741
Echinococcus granulosus	lipoxygenase domain containing protein	0.0039	0.0638	0.0638
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0011	0.0013	0.0013
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1133	0.1122
Leishmania major	ATP-binding cassette protein subfamily G, member 6, putative	0.004	0.0665	0.0653
Leishmania major	beta tubulin	0.0463	1	1
Trypanosoma cruzi	zeta tubulin, putative	0.0109	0.2181	0.1624
Leishmania major	beta tubulin	0.0463	1	1
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0109	0.2181	0.217
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.241	0.241
Echinococcus multilocularis	Tubulin beta 2C chain	0.0463	1	1
Trypanosoma brucei	beta tubulin	0.0463	1	1
Trichomonas vaginalis	esterase, putative	0.0044	0.0741	0.0729
Trypanosoma brucei	tubulin gamma chain	0.0251	0.5315	0.4981
Brugia malayi	hypothetical protein	0.0039	0.0638	0.0626
Plasmodium falciparum	tubulin epsilon chain, putative	0.0251	0.5315	0.5309
Leishmania major	beta tubulin	0.0463	1	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.0039	0.0638	0.0638
Echinococcus granulosus	tubulin alpha chain	0.035	0.7509	0.7509
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.0164	0.3397	0.3397
Echinococcus granulosus	Polycystic kidney disease protein	0.0039	0.0638	0.0638
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0085	0.1659	0.1648
Mycobacterium ulcerans	beta-lactamase	0.0044	0.0741	0.0164
Schistosoma mansoni	tubulin subunit beta	0.0463	1	1
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0164	0.3397	0.3397
Leishmania major	beta tubulin	0.0463	1	1
Loa Loa (eye worm)	hypothetical protein	0.0175	0.3645	0.3645
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0251	0.5308	0.5302
Mycobacterium ulcerans	hypothetical protein	0.0044	0.0741	0.0164
Echinococcus granulosus	tubulin delta chain	0.0109	0.2181	0.2181
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0251	0.5308	0.5302
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0102	0.2027	0.2017
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0638	0.0638
Schistosoma mansoni	tubulin subunit beta	0.0463	1	1
Echinococcus granulosus	tubulin beta 4A class IVa	0.0463	1	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0251	0.5315	0.4981
Brugia malayi	beta-lactamase family protein	0.0044	0.0741	0.0729
Echinococcus multilocularis	tubulin delta chain	0.0109	0.2181	0.2181
Schistosoma mansoni	tubulin subunit beta	0.0463	1	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.035	0.7509	0.7509
Trypanosoma cruzi	alpha tubulin, putative	0.035	0.7509	0.7331
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0111	0.2229	0.222
Echinococcus multilocularis	Tubulin beta 2C chain	0.0463	1	1
Schistosoma mansoni	tubulin subunit alpha	0.035	0.7509	0.7505
Echinococcus multilocularis	tubulin alpha chain	0.035	0.7509	0.7509
Echinococcus granulosus	Ankyrin	0.0085	0.1659	0.1659
Leishmania major	beta tubulin	0.0463	1	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0013	0.0013
Echinococcus granulosus	tubulin alpha 1C chain	0.035	0.7509	0.7509
Schistosoma mansoni	hypothetical protein	0.0035	0.0552	0.054
Echinococcus multilocularis	hypothetical protein	0.035	0.7509	0.7509
Loa Loa (eye worm)	tubulin alpha-2 chain	0.035	0.7509	0.7509
Onchocerca volvulus		0.0044	0.0741	0.1375
Brugia malayi	beta-lactamase	0.0044	0.0741	0.0729
Plasmodium falciparum	tubulin beta chain	0.0463	1	1
Giardia lamblia	Epsilon tubulin	0.0109	0.2181	0.1635
Loa Loa (eye worm)	hypothetical protein	0.0085	0.1659	0.1659
Trypanosoma brucei	beta tubulin	0.0251	0.5315	0.4981

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (ADMET)	> 100 uM	Cytotoxicity against human MT4 cells after 3 days by MTT assay	ChEMBL.	21193314
IC50 (binding)	= 4.3 uM	Inhibition RNase H activity of HIV1 reverse transcriptase expressed in Escherichia coli stain BL21(DE3)pLysS	ChEMBL.	21193314

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: CHEMBL1642769

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1463279