TDR Targets

Basic information

Technical information

TDR Targets ID: 68915
Name: 2,2-difluorohex-5-yne-1,4-diamine dihydrochlo ride
MW: 221.076 | Formula: C6H12Cl2F2N2
H donors: 2 H acceptors: 0 LogP: 1.12 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: NCC(CC(C#C)N)(F)F.Cl.Cl
InChi: 1S/C6H10F2N2.2ClH/c1-2-5(10)3-6(7,8)4-9;;/h1,5H,3-4,9-10H2;2*1H
InChiKey: CKZQMMJWARMTHQ-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

2,2-difluoro-5-hexyne-1,4-diamine dihydrochloride
(4-amino-2,2-difluoro-hex-5-ynyl)amine dihydrochloride

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Ornithine decarboxylase	Starlite/ChEMBL	References
Homo sapiens	amine oxidase, copper containing 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium berghei	S-adenosylmethionine decarboxylase/ornithine decarboxylase, putative	Get druggable targets OG5_126750	All targets in OG5_126750
Mycobacterium leprae	PROBABLE DIAMINOPIMELATE DECARBOXYLASE LYSA (DAP DECARBOXYLASE)	Get druggable targets OG5_126750	All targets in OG5_126750
Neospora caninum	Diaminopimelate decarboxylase protein, related	Get druggable targets OG5_126750	All targets in OG5_126750
Entamoeba histolytica	ornithine decarboxylase, putative	Get druggable targets OG5_126750	All targets in OG5_126750
Schistosoma mansoni	copper/topaquinone oxidase	Get druggable targets OG5_127171	All targets in OG5_127171
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_126750	All targets in OG5_126750
Toxoplasma gondii	diaminopimelate decarboxylase	Get druggable targets OG5_126750	All targets in OG5_126750
Leishmania mexicana	ornithine decarboxylase, putative	Get druggable targets OG5_126750	All targets in OG5_126750
Candida albicans	one of two likely peroxisomal copper amine oxidase genes	Get druggable targets OG5_127171	All targets in OG5_127171
Trichomonas vaginalis	pyridoxal-dependent decarboxylase, putative	Get druggable targets OG5_126750	All targets in OG5_126750
Schistosoma japonicum	ko:K00276 copper amine oxidase [EC1.4.3.6], putative	Get druggable targets OG5_127171	All targets in OG5_127171
Trypanosoma congolense	ornithine decarboxylase, putative	Get druggable targets OG5_126750	All targets in OG5_126750
Plasmodium vivax	S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative	Get druggable targets OG5_126750	All targets in OG5_126750
Giardia lamblia	Ornithine decarboxylase	Get druggable targets OG5_126750	All targets in OG5_126750
Toxoplasma gondii	hypothetical protein	Get druggable targets OG5_127171	All targets in OG5_127171
Leishmania infantum	ornithine decarboxylase, putative	Get druggable targets OG5_126750	All targets in OG5_126750
Trichomonas vaginalis	ornithine decarboxylase, putative	Get druggable targets OG5_126750	All targets in OG5_126750
Mycobacterium ulcerans	diaminopimelate decarboxylase LysA	Get druggable targets OG5_126750	All targets in OG5_126750
Trichomonas vaginalis	diaminopimelate decarboxylase, putative	Get druggable targets OG5_126750	All targets in OG5_126750
Loa Loa (eye worm)	pyridoxal-dependent decarboxylase	Get druggable targets OG5_126750	All targets in OG5_126750
Cryptosporidium parvum	extracellular protein with a signal peptide sequence, MAM domain and a Cu amine oxidase domain	Get druggable targets OG5_127171	All targets in OG5_127171
Candida albicans	one of two likely copper amine oxidase genes	Get druggable targets OG5_127171	All targets in OG5_127171
Trichomonas vaginalis	diaminopimelate decarboxylase, putative	Get druggable targets OG5_126750	All targets in OG5_126750
Brugia malayi	Pyridoxal-dependent decarboxylase, pyridoxal binding domain containing protein	Get druggable targets OG5_126750	All targets in OG5_126750
Trichomonas vaginalis	ornithine decarboxylase, putative	Get druggable targets OG5_126750	All targets in OG5_126750
Candida albicans	one of two likely peroxisomal copper amine oxidase genes	Get druggable targets OG5_127171	All targets in OG5_127171
Mycobacterium tuberculosis	Diaminopimelate decarboxylase LysA (DAP decarboxylase)	Get druggable targets OG5_126750	All targets in OG5_126750
Plasmodium falciparum	S-adenosylmethionine decarboxylase/ornithine decarboxylase	Get druggable targets OG5_126750	All targets in OG5_126750
Echinococcus multilocularis	amiloride sensitive amine oxidase	Get druggable targets OG5_127171	All targets in OG5_127171
Plasmodium knowlesi	S-adenosylmethionine decarboxylase/ornithine decarboxylase, putative	Get druggable targets OG5_126750	All targets in OG5_126750
Trypanosoma brucei	ornithine decarboxylase	Get druggable targets OG5_126750	All targets in OG5_126750
Neospora caninum	hypothetical protein	Get druggable targets OG5_127171	All targets in OG5_127171
Trypanosoma brucei gambiense	ornithine decarboxylase, putative	Get druggable targets OG5_126750	All targets in OG5_126750
Onchocerca volvulus		Get druggable targets OG5_126750	All targets in OG5_126750
Candida albicans	Ornithine decarboxylase similar to S. cerevisiae SPE1 (YKL184W) involved in pantothenate and polyamine biosynthesis	Get druggable targets OG5_126750	All targets in OG5_126750
Trypanosoma congolense	ornithine decarboxylase	Get druggable targets OG5_126750	All targets in OG5_126750
Echinococcus granulosus	amiloride sensitive amine oxidase	Get druggable targets OG5_127171	All targets in OG5_127171
Candida albicans	Ornithine decarboxylase similar to S. cerevisiae SPE1 (YKL184W) involved in pantothenate and polyamine biosynthesis	Get druggable targets OG5_126750	All targets in OG5_126750
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_127171	All targets in OG5_127171
Candida albicans	one of two likely copper amine oxidase genes	Get druggable targets OG5_127171	All targets in OG5_127171
Leishmania braziliensis	ornithine decarboxylase, putative	Get druggable targets OG5_126750	All targets in OG5_126750
Leishmania donovani	ornithine decarboxylase, putative	Get druggable targets OG5_126750	All targets in OG5_126750
Cryptosporidium hominis	amiloride binding protein 1	Get druggable targets OG5_127171	All targets in OG5_127171
Plasmodium yoelii	S-adenosylmethionine decarboxylase-ornithine decarboxylase-related	Get druggable targets OG5_126750	All targets in OG5_126750
Schistosoma japonicum	IPR000269,Copper amine oxidase,domain-containing	Get druggable targets OG5_127171	All targets in OG5_127171
Leishmania major	ornithine decarboxylase, putative	Get druggable targets OG5_126750	All targets in OG5_126750

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus		Ornithine decarboxylase	461 aa	387 aa	30.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.0252	0.2319	0.3882
Loa Loa (eye worm)	hypothetical protein	0.0338	0.3207	0.5532
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0173	0.0099
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.014	0.117	0.1857
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0038	0.0122	0.0015
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0126	0.1031	0.1767
Echinococcus multilocularis	musashi	0.0055	0.0302	0.0506
Schistosoma mansoni	alpha-glucosidase	0.0146	0.1234	0.1131
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.0964	0.1652
Loa Loa (eye worm)	glutathione reductase	0.0404	0.3874	0.6685
Loa Loa (eye worm)	hypothetical protein	0.0142	0.1195	0.2051
Trichomonas vaginalis	set domain proteins, putative	0.0513	0.4993	1
Schistosoma mansoni	intermediate filament proteins	0.0055	0.0302	0.0187
Onchocerca volvulus		0.0098	0.0743	0.1129
Echinococcus granulosus	amiloride sensitive amine oxidase	0.0103	0.0793	0.1357
Echinococcus granulosus	lamin	0.0055	0.0302	0.0506
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0065	0.0399	0.0674
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0122	0.001
Trichomonas vaginalis	CMGC family protein kinase	0.006	0.035	0.0701
Echinococcus multilocularis	pyridine nucleotide disulfide oxidoreductase	0.0037	0.0117	0.0186
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.059	0.579	1
Echinococcus granulosus	mitogen activated protein kinase	0.006	0.035	0.0589
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0736	0.7279	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0078	0.0534	0.0423
Loa Loa (eye worm)	hypothetical protein	0.0142	0.1195	0.2051
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.006	0.035	0.0411
Trichomonas vaginalis	glutamate synthase, putative	0.0037	0.0117	0.0234
Schistosoma mansoni	serine/threonine protein kinase	0.006	0.035	0.0236
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0043	0.0173	0.0099
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.014	0.117	0.1857
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.014	0.117	0.1857
Brugia malayi	chromobox protein homolog 3	0.0045	0.0201	0.0356
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0083	0.0591	0.1213
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0148	0.1255	0.2155
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0038	0.0122	0.0018
Mycobacterium leprae	Probable NADH-dependent glutamate synthase (small subunit) GltD (L-glutamate synthase) (L-glutamate synthetase) (NADH-glutamate	0.0037	0.0117	0.0132
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0207	0.0091
Mycobacterium tuberculosis	Diaminopimelate decarboxylase LysA (DAP decarboxylase)	0.0072	0.0475	0.05
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.006	0.035	0.0411
Echinococcus granulosus	6 phosphofructo 2 kinase:fructose 2	0.059	0.579	1
Trichomonas vaginalis	chromobox protein, putative	0.0081	0.0566	0.1133
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0038	0.0122	0.0196
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.045	0.4355	0.7517
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.014	0.117	0.2008
Schistosoma mansoni	thyroid hormone receptor	0.0148	0.1255	0.1152
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.014	0.117	0.1066
Loa Loa (eye worm)	intermediate filament protein	0.0055	0.0302	0.0506
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0131	0.1084	0.3028
Trypanosoma cruzi	trypanothione reductase, putative	0.014	0.117	0.1857
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0207	0.0342
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0037	0.0117	0.0234
Echinococcus granulosus	geminin	0.0179	0.1572	0.2704
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0143	0.1206	0.192
Brugia malayi	Glycosyl hydrolases family 31 protein	0.017	0.1477	0.3157
Echinococcus multilocularis	chromobox protein 1	0.0081	0.0566	0.0963
Giardia lamblia	Hypothetical protein	0.0348	0.3309	1
Schistosoma mansoni	chromobox protein	0.0081	0.0566	0.0454
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.014	0.117	0.1857
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0633	0.6226	0.8549
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0209	0.1875	0.31
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0065	0.0399	0.075
Trichomonas vaginalis	alpha-glucosidase, putative	0.0038	0.0122	0.0245
Echinococcus granulosus	L aminoadipate semialdehyde	0.0083	0.0591	0.1007
Trichomonas vaginalis	alpha-glucosidase, putative	0.0038	0.0122	0.0245
Loa Loa (eye worm)	hypothetical protein	0.059	0.579	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0633	0.6226	0.8529
Brugia malayi	follicle stimulating hormone receptor	0.0474	0.4592	1
Trichomonas vaginalis	CAMK family protein kinase	0.0209	0.1875	0.3757
Trichomonas vaginalis	chromobox protein, putative	0.0081	0.0566	0.1133
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0131	0.1084	0.1704
Brugia malayi	Pre-SET motif family protein	0.0065	0.0399	0.079
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.014	0.117	0.1857
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.058	0.5688	0.982
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.014	0.117	0.3299
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0736	0.7279	1
Brugia malayi	MH2 domain containing protein	0.012	0.0964	0.2031
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0037	0.0117	0.0186
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0126	0.1031	0.1767
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.0798	0.1598
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0303	0.2842	0.4804
Schistosoma mansoni	hypothetical protein	0.0179	0.1572	0.1473
Trichomonas vaginalis	CAMK family protein kinase	0.0104	0.0798	0.1598
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0131	0.1084	0.1859
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0103	0.0789	0.1648
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0201	0.0403
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0083	0.0591	0.048
Giardia lamblia	NADH oxidase lateral transfer candidate	0.014	0.117	0.3299
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.014	0.117	0.3299
Leishmania major	alpha glucosidase II subunit, putative	0.0038	0.0122	0.001
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0474	0.4592	0.7928
Echinococcus granulosus	apoptosis inducing factor 1 mitochondrial	0.0037	0.0117	0.0186
Giardia lamblia	Kinase, PLK	0.0209	0.1875	0.5509
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0209	0.1875	0.3228
Toxoplasma gondii	hypothetical protein	0.0052	0.027	0.0408
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0339	0.3216	0.6442
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.014	0.117	0.2008
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0207	0.0342
Brugia malayi	glutamate synthase	0.0037	0.0117	0.0171
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0049	0.0236	0.0239
Trypanosoma brucei	polo-like protein kinase	0.0209	0.1875	0.31
Trichomonas vaginalis	dihydrolipoamide dehydrogenase, putative	0.0037	0.0117	0.0234
Echinococcus multilocularis	mitogen activated protein kinase 3	0.006	0.035	0.0589
Schistosoma mansoni	alpha-glucosidase	0.0146	0.1234	0.1131
Toxoplasma gondii	diaminopimelate decarboxylase	0.0072	0.0475	0.0953
Treponema pallidum	NADH oxidase	0.014	0.117	0.3398
Echinococcus granulosus	thioredoxin glutathione reductase	0.0405	0.3891	0.6714
Loa Loa (eye worm)	thioredoxin reductase	0.0404	0.3874	0.6685
Echinococcus multilocularis	lamin dm0	0.0055	0.0302	0.0506
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.0348	0.3309	1
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0037	0.0117	0.0234
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0207	0.0091
Brugia malayi	Pre-SET motif family protein	0.045	0.4355	0.9478
Plasmodium falciparum	thioredoxin reductase	0.014	0.117	0.2803
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0037	0.0117	0.0234
Trichomonas vaginalis	alpha-glucosidase, putative	0.0038	0.0122	0.0245
Trichomonas vaginalis	CAMK family protein kinase	0.0209	0.1875	0.3757
Echinococcus granulosus	mitogen activated protein kinase 3	0.006	0.035	0.0589
Mycobacterium tuberculosis	Probable oxidoreductase	0.0736	0.7279	1
Trichomonas vaginalis	diaminopimelate decarboxylase, putative	0.0072	0.0475	0.0951
Leishmania major	mitochondrial DNA polymerase beta	0.0303	0.2842	0.4804
Plasmodium falciparum	glutathione reductase	0.0404	0.3874	1
Schistosoma mansoni	lamin	0.0055	0.0302	0.0187
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.017	0.1477	0.2539
Schistosoma mansoni	serine/threonine protein kinase	0.0209	0.1875	0.1779
Onchocerca volvulus		0.0055	0.0302	0.0353
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.006	0.035	0.062
Echinococcus multilocularis	chromobox protein 1	0.0081	0.0566	0.0963
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0166	0.1436	0.4133
Trichomonas vaginalis	CAMK family protein kinase	0.0209	0.1875	0.3757
Echinococcus granulosus	pyridine nucleotide disulfide oxidoreductase	0.0037	0.0117	0.0186
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.014	0.117	0.2484
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0065	0.0399	0.0285
Trypanosoma cruzi	trypanothione reductase, putative	0.0404	0.3874	0.6623
Schistosoma mansoni	hypothetical protein	0.0179	0.1572	0.1473
Trypanosoma brucei	glucosidase, putative	0.0038	0.0122	0.001
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.006	0.035	0.0411
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.014	0.117	0.1857
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0404	0.3874	0.5246
Schistosoma mansoni	hypothetical protein	0.0126	0.1031	0.0925
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0339	0.3216	0.6442
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0037	0.0117	0.0234
Brugia malayi	Intermediate filament tail domain containing protein	0.0055	0.0302	0.0577
Schistosoma mansoni	aldehyde dehydrogenase	0.0131	0.1084	0.0978
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0207	0.0342
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0209	0.1875	0.3119
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.014	0.117	0.1857
Schistosoma mansoni	kinase	0.0106	0.0826	0.0718
Trichomonas vaginalis	chromobox protein, putative	0.0049	0.0236	0.0474
Trichomonas vaginalis	CAMK family protein kinase	0.0209	0.1875	0.3757
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0131	0.1084	0.135
Mycobacterium ulcerans	diaminopimelate decarboxylase LysA	0.0072	0.0475	0.1122
Toxoplasma gondii	NADPH-glutathione reductase	0.014	0.117	0.2803
Echinococcus multilocularis	amiloride sensitive amine oxidase	0.0103	0.0793	0.1357
Echinococcus multilocularis	lysosomal alpha glucosidase	0.017	0.1477	0.2539
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.059	0.579	1
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.006	0.035	0.0411
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.014	0.117	0.1857
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0045	0.0201	0.0177
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0131	0.1084	0.3028
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.014	0.117	0.2803
Mycobacterium ulcerans	hypothetical protein	0.0348	0.3309	1
Trichomonas vaginalis	ornithine decarboxylase, putative	0.0072	0.0475	0.0951
Trichomonas vaginalis	glutamate synthase, putative	0.0037	0.0117	0.0234
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0633	0.6226	0.8529
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.058	0.5688	0.982
Treponema pallidum	fructose-bisphosphate aldolase	0.0339	0.3216	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0291	0.0488
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0633	0.6226	0.8529
Brugia malayi	serine/threonine-protein kinase plk-2	0.0209	0.1875	0.4033
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0103	0.0789	0.1648
Onchocerca volvulus		0.0072	0.0475	0.0658
Giardia lamblia	Fructose-bisphosphate aldolase	0.0339	0.3216	0.9709
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.014	0.117	0.1471
Trichomonas vaginalis	CMGC family protein kinase	0.006	0.035	0.0701
Echinococcus granulosus	NADPH:adrenodoxin oxidoreductase	0.0037	0.0117	0.0186
Trypanosoma cruzi	polo-like protein kinase, putative	0.0209	0.1875	0.31
Trypanosoma brucei	ornithine decarboxylase	0.0072	0.0475	0.0631
Brugia malayi	hypothetical protein	0.0142	0.1195	0.2538
Leishmania major	trypanothione reductase	0.0404	0.3874	0.6623
Echinococcus granulosus	intermediate filament protein	0.0055	0.0302	0.0506
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0037	0.0117	0.0186
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0065	0.0131
Giardia lamblia	Ornithine decarboxylase	0.0072	0.0475	0.1122
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0339	0.3216	0.6442
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0037	0.0117	0.0234
Onchocerca volvulus		0.0513	0.4993	0.8598
Toxoplasma gondii	hypothetical protein	0.0049	0.0237	0.032
Toxoplasma gondii	aldehyde dehydrogenase	0.0131	0.1084	0.2573
Mycobacterium leprae	Probable NADPH:adrenodoxin oxidoreductase FprA (NADPH-FERREDOXIN REDUCTASE)	0.0037	0.0117	0.0132
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0339	0.3216	0.6442
Trichomonas vaginalis	diaminopimelate decarboxylase, putative	0.0072	0.0475	0.0951
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.014	0.117	1
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.006	0.035	0.0589
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.014	0.117	0.2803
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.014	0.117	0.1857
Onchocerca volvulus	Huntingtin homolog	0.0142	0.1195	0.1923
Echinococcus granulosus	chromobox protein 1	0.0081	0.0566	0.0963
Brugia malayi	MAP kinase sur-1	0.006	0.035	0.0682
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0065	0.0131
Echinococcus multilocularis	glutamate synthase	0.0037	0.0117	0.0186
Echinococcus granulosus	sulfide:quinone oxidoreductase	0.0037	0.0117	0.0186
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0117	0.0186
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0038	0.0122	0.0183
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0201	0.0403
Trichomonas vaginalis	CMGC family protein kinase	0.006	0.035	0.0701
Echinococcus granulosus	lysosomal alpha glucosidase	0.017	0.1477	0.2539
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0209	0.1875	0.3228
Trichomonas vaginalis	alpha-glucosidase, putative	0.0038	0.0122	0.0245
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0252	0.2319	0.3882
Mycobacterium leprae	PROBABLE NADPH:ADRENODOXIN OXIDOREDUCTASE FPRB (ADRENODOXIN REDUCTASE) (AR) (FERREDOXIN-NADP(+) REDUCTASE)	0.0037	0.0117	0.0132
Brugia malayi	glutathione reductase	0.0404	0.3874	0.8422
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase family protein	0.0037	0.0117	0.0171
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0062	0.0374	0.0632
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0038	0.0122	0.0245
Plasmodium falciparum	glutathione reductase	0.014	0.117	0.2803
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0143	0.1206	0.192
Echinococcus granulosus	glutamate synthase	0.0037	0.0117	0.0186
Onchocerca volvulus	Huntingtin homolog	0.0142	0.1195	0.1923
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0065	0.0399	0.0285
Giardia lamblia	Hypothetical protein	0.0348	0.3309	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0055	0.0302	0.0506
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0037	0.0117	0.0234
Schistosoma mansoni	copper/topaquinone oxidase	0.0103	0.0793	0.0685
Plasmodium vivax	glutathione reductase, putative	0.0404	0.3874	1
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.014	0.117	0.1857
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0037	0.0117	0.0234
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0399	0.0674
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0405	0.3891	0.6714
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0591	0.1007
Echinococcus granulosus	chromobox protein 1	0.0081	0.0566	0.0963
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0101	0.0159
Schistosoma mansoni	lamin	0.0055	0.0302	0.0187
Echinococcus multilocularis	lamin	0.0055	0.0302	0.0506
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0131	0.1084	0.1859
Loa Loa (eye worm)	pyridine nucleotide-disufhide oxidoreductase	0.0037	0.0117	0.0186
Echinococcus granulosus	lamin dm0	0.0055	0.0302	0.0506
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0339	0.3216	0.6442
Trichomonas vaginalis	ornithine decarboxylase, putative	0.0072	0.0475	0.0951
Echinococcus multilocularis	mitogen activated protein kinase	0.006	0.035	0.0589
Trichomonas vaginalis	CAMK family protein kinase	0.0209	0.1875	0.3757
Mycobacterium leprae	THIOREDOXIN TRXC (TRX) (MPT46)	0.0037	0.0117	0.0132
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0038	0.0122	0.0196
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.014	0.117	0.2803
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0037	0.0117	0.0234
Echinococcus multilocularis	NADPH:adrenodoxin oxidoreductase	0.0037	0.0117	0.0186
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.0037	0.0117	0.0234
Mycobacterium ulcerans	hypothetical protein	0.016	0.1372	0.3932
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.006	0.035	0.0411
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.058	0.5688	0.982
Brugia malayi	Heterochromatin protein 1	0.0081	0.0566	0.1157
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0252	0.2319	0.3882
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0038	0.0122	0.0245
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.006	0.035	0.0411
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.014	0.117	0.1857
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0021	0.0042
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0339	0.3216	0.9709
Mycobacterium tuberculosis	Conserved hypothetical protein	0.016	0.1372	0.1753
Schistosoma mansoni	aldehyde dehydrogenase	0.0131	0.1084	0.0978
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0207	0.0342
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.059	0.579	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0207	0.0091
Toxoplasma gondii	thioredoxin reductase	0.0404	0.3874	1
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.014	0.117	0.3299
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.014	0.117	0.1857
Brugia malayi	intermediate filament protein	0.0055	0.0302	0.0577
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0339	0.3216	0.6442
Entamoeba histolytica	ornithine decarboxylase, putative	0.0072	0.0475	0.1122
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0037	0.0117	0.0186
Echinococcus granulosus	neutral alpha glucosidase AB	0.0038	0.0122	0.0196
Plasmodium falciparum	S-adenosylmethionine decarboxylase/ornithine decarboxylase	0.0072	0.0475	0.0953
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.059	0.579	1
Plasmodium falciparum	thioredoxin reductase	0.0404	0.3874	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0131	0.1084	0.3028
Schistosoma mansoni	chromobox protein	0.0081	0.0566	0.0454
Mycobacterium tuberculosis	Probable dehydrogenase	0.0633	0.6226	0.8529
Onchocerca volvulus		0.059	0.579	1
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0083	0.0591	0.1007
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0207	0.0342
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.014	0.117	0.2803
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0173	0.0099
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0038	0.0122	0.0018
Schistosoma mansoni	hypothetical protein	0.0103	0.0793	0.0685
Trichomonas vaginalis	alpha-glucosidase, putative	0.0038	0.0122	0.0245
Onchocerca volvulus		0.0078	0.0534	0.0762
Echinococcus multilocularis	apoptosis inducing factor 1 mitochondrial	0.0037	0.0117	0.0186
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.014	0.117	0.1857
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.014	0.117	0.2803
Brugia malayi	NADPH:adrenodoxin oxidoreductase, mitochondrial precursor	0.0037	0.0117	0.0171
Mycobacterium tuberculosis	Probable reductase	0.0633	0.6226	0.8529
Echinococcus multilocularis	geminin	0.0179	0.1572	0.2704
Trypanosoma brucei	trypanothione reductase	0.0404	0.3874	0.6623
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0633	0.6226	0.8529
Trichomonas vaginalis	chromobox protein, putative	0.0049	0.0236	0.0474
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0302	0.0506
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0065	0.0399	0.0674
Trichomonas vaginalis	CMGC family protein kinase	0.006	0.035	0.0701
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0303	0.2842	0.4804
Plasmodium vivax	thioredoxin reductase, putative	0.0404	0.3874	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0065	0.0399	0.0674
Trypanosoma cruzi	polo-like protein kinase, putative	0.0209	0.1875	0.31
Echinococcus multilocularis	lysosomal alpha glucosidase	0.017	0.1477	0.2539
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.0964	0.1652
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0339	0.3216	0.6442
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0339	0.3216	0.6442
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0209	0.1875	0.5509
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0201	0.0332
Trichomonas vaginalis	glutathione reductase, putative	0.014	0.117	0.2344
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.003	0.0039	0.0052
Trichomonas vaginalis	CAMK family protein kinase	0.0209	0.1875	0.3757
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0207	0.0368
Trypanosoma brucei	protein kinase, putative	0.006	0.035	0.0411
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0143	0.1206	0.192
Plasmodium vivax	S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative	0.0072	0.0475	0.0953
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0166	0.1436	0.1949
Onchocerca volvulus		0.0037	0.0117	0.0028
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.014	0.117	0.1857
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0166	0.1436	0.1842
Leishmania major	ornithine decarboxylase, putative	0.0072	0.0475	0.0631
Trichomonas vaginalis	mercuric reductase, putative	0.014	0.117	0.2344
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0209	0.1875	0.3228
Echinococcus multilocularis	sulfide:quinone oxidoreductase	0.0037	0.0117	0.0186
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0038	0.0122	0.0245
Schistosoma mansoni	6-phosphofructokinase	0.059	0.579	0.5741
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.006	0.035	0.0411
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.014	0.117	0.1857
Brugia malayi	Pyridoxal-dependent decarboxylase, pyridoxal binding domain containing protein	0.0072	0.0475	0.0957
Onchocerca volvulus		0.0083	0.0591	0.0862
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0303	0.2842	0.4804
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0348	0.3309	1
Trichomonas vaginalis	CAMK family protein kinase	0.0209	0.1875	0.3757
Loa Loa (eye worm)	pyridoxal-dependent decarboxylase	0.0072	0.0475	0.0806
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0339	0.3216	0.9709
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0736	0.7279	1
Plasmodium vivax	SET domain protein, putative	0.0065	0.0399	0.075
Schistosoma mansoni	alpha glucosidase	0.0038	0.0122	0.0006
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0038	0.0122	0.0245
Trichomonas vaginalis	apoptosis inducing factor, putative	0.0037	0.0117	0.0234
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0252	0.2319	0.3882
Brugia malayi	Thioredoxin reductase	0.0404	0.3874	0.8422
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.014	0.117	0.1857
Loa Loa (eye worm)	heterochromatin protein 1	0.0081	0.0566	0.0963
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.059	0.579	1
Schistosoma mansoni	thyroid hormone receptor	0.0148	0.1255	0.1152
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0043	0.0173	0.0099
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.014	0.117	1
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.058	0.5688	0.982
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0122	0.001
Trichomonas vaginalis	pyridoxal-dependent decarboxylase, putative	0.0072	0.0475	0.0951
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0065	0.0399	0.0285
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase family protein	0.0037	0.0117	0.0171
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.014	0.117	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0052	0.0268	0.0267
Onchocerca volvulus		0.0055	0.0302	0.0353
Loa Loa (eye worm)	hypothetical protein	0.058	0.5688	0.9823
Giardia lamblia	Kinase, CMGC MAPK	0.006	0.035	0.073
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0037	0.0117	0.0186
Loa Loa (eye worm)	programmed cell death 8	0.0037	0.0117	0.0186

Activities

Activity type	Activity value	Assay description	Source	Reference
Inactivation time (binding)	= 9 min	Half inactivation of ODC at 5 uM concentration	ChEMBL.	2909729
Inactivation time (binding)	= 9 min	Half inactivation of ODC at 5 uM concentration	ChEMBL.	2909729
Inactivation time (binding)	= 85 min	Half inactivation of ODC at 5 uM concentration along with 1 mM L-ornithine	ChEMBL.	2909729
Inactivation time (binding)	= 85 min	Half inactivation of ODC at 5 uM concentration along with 1 mM L-ornithine	ChEMBL.	2909729
Inactivation time (binding)	> 200 min	Half inactivation of ODC at 5 uM concentration along with 1 mM L-methylornithine	ChEMBL.	2909729
Inactivation time (binding)	> 200 min	Half inactivation of ODC at 5 uM concentration along with 1 mM L-methylornithine	ChEMBL.	2909729
Ka (binding)	= 1	Association constant against S-adenosyl-L-methionine decarboxylase	ChEMBL.	2909729
Ka (binding)	= 1	Association constant against S-adenosyl-L-methionine decarboxylase	ChEMBL.	2909729
Ki (binding)	= 0.1 uM	In vitro inhibition against rat aorta semicarbazide-sessitive amine oxidase	ChEMBL.	2909729
Ki (binding)	= 2.7 uM	In vitro inhibition against hog kidney diamine oxidase	ChEMBL.	2909729
Ki (binding)	= 2.7 uM	In vitro inhibition against hog kidney diamine oxidase	ChEMBL.	2909729
Ki (binding)	= 10 uM	In vitro inhibition against ornithine decarboxylase	ChEMBL.	2909729
Ki (binding)	= 10 uM	In vitro inhibition against ornithine decarboxylase	ChEMBL.	2909729
T1/2 (ADMET)	= 2.4 min	Pharmacokinetic parameter half life of the compound was determined	ChEMBL.	2909729

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: CHEMBL47011
PubChem: 14049939

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 68915