TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 141.168 | Formula: C7H11NO2
H donors: 2 H acceptors: 2 LogP: -2.31 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: N[C@@H]1CCCC(=C1)C(=O)O
InChi: 1S/C7H11NO2/c8-6-3-1-2-5(4-6)7(9)10/h4,6H,1-3,8H2,(H,9,10)/t6-/m1/s1
InChiKey: ZCGFCFMGAXXBTD-ZCFIWIBFSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ornithine aminotransferase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Probable acetylornithine aminotransferase ArgD	Get druggable targets OG5_126982	All targets in OG5_126982
Candida albicans	Ornithine aminotransferase	Get druggable targets OG5_126982	All targets in OG5_126982
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	Get druggable targets OG5_126982	All targets in OG5_126982
Candida albicans	Acetylornithine aminotransferase	Get druggable targets OG5_126982	All targets in OG5_126982
Schistosoma japonicum	ko:K00819 ornithine--oxo-acid transaminase [EC2.6.1.13], putative	Get druggable targets OG5_126982	All targets in OG5_126982
Schistosoma mansoni	ornithine--oxo-acid transaminase	Get druggable targets OG5_126982	All targets in OG5_126982
Candida albicans	Ornithine aminotransferase	Get druggable targets OG5_126982	All targets in OG5_126982
Plasmodium falciparum	ornithine aminotransferase	Get druggable targets OG5_126982	All targets in OG5_126982
Echinococcus granulosus	ornithine aminotransferase	Get druggable targets OG5_126982	All targets in OG5_126982
Mycobacterium leprae	Probable Acetylornithine aminotransferase ArgD	Get druggable targets OG5_126982	All targets in OG5_126982
Toxoplasma gondii	ornithine aminotransferase, mitochondrial precursor, putative	Get druggable targets OG5_126982	All targets in OG5_126982
Mycobacterium ulcerans	ornithine aminotransferase RocD1 and RocD2	Get druggable targets OG5_126982	All targets in OG5_126982
Plasmodium vivax	ornithine aminotransferase, putative	Get druggable targets OG5_126982	All targets in OG5_126982
Neospora caninum	ornithine aminotransferase, putative	Get druggable targets OG5_126982	All targets in OG5_126982
Echinococcus multilocularis	ornithine aminotransferase	Get druggable targets OG5_126982	All targets in OG5_126982
Echinococcus multilocularis	Aminotransferase class III	Get druggable targets OG5_126982	All targets in OG5_126982
Mycobacterium ulcerans	acetylornithine aminotransferase	Get druggable targets OG5_126982	All targets in OG5_126982
Plasmodium berghei	ornithine aminotransferase, putative	Get druggable targets OG5_126982	All targets in OG5_126982
Plasmodium knowlesi	ornithine aminotransferase, putative	Get druggable targets OG5_126982	All targets in OG5_126982
Candida albicans	Acetylornithine aminotransferase	Get druggable targets OG5_126982	All targets in OG5_126982
Plasmodium yoelii	ornithine aminotransferase	Get druggable targets OG5_126982	All targets in OG5_126982
Echinococcus multilocularis	ornithine aminotransferase	Get druggable targets OG5_126982	All targets in OG5_126982
Candida albicans	corresponds to N-terminus of S. cerevisiae ARG8 and allelic CaP19.11254	Get druggable targets OG5_126982	All targets in OG5_126982
Echinococcus granulosus	Aminotransferase class III	Get druggable targets OG5_126982	All targets in OG5_126982

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase)	ornithine aminotransferase	439 aa	417 aa	28.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0069	0.0793	0.209
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0026	0.014	0.0445
Plasmodium vivax	SET domain protein, putative	0.0029	0.0186	0.2388
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0261	0.0549
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0302	0.4345	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0223	0.3151	0.9642
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0302	0.4345	1
Schistosoma mansoni	hypothetical protein	0.0049	0.0484	0.0484
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0398	0.1264
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0398	0.0837
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0203	0.2836	0.5959
Brugia malayi	hypothetical protein	0.003	0.0201	0.0423
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0032	0.0234	0.4089
Mycobacterium ulcerans	hypothetical protein	0.0028	0.0174	0.0553
Leishmania major	hypothetical protein, conserved	0.0069	0.0793	0.1825
Loa Loa (eye worm)	cytochrome P450 family protein	0.0027	0.016	0.0336
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0398	0.0826
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0201	0.2698
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.0291	0.0291
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0042	0.0389	0.0896
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0398	0.0837
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0143	0.1921	0.442
Onchocerca volvulus		0.0043	0.0398	0.0532
Mycobacterium ulcerans	hypothetical protein	0.0026	0.014	0.0445
Toxoplasma gondii	ABC1 family protein	0.0043	0.0398	0.6974
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0302	0.4345	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0301	0.0427
Schistosoma mansoni	lamin	0.0027	0.0153	0.0153
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0398	0.1264
Leishmania major	hypothetical protein, conserved	0.003	0.0201	0.0464
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0291	0.0483
Schistosoma mansoni	thyroid hormone receptor	0.0132	0.1764	0.1764
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0201	0.0464
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0261	0.0549
Leishmania major	hypothetical protein, conserved	0.0043	0.0398	0.0916
Leishmania major	mitochondrial DNA polymerase beta	0.0302	0.4345	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0398	0.0837
Brugia malayi	hypothetical protein	0.0019	0.0039	0.0081
Brugia malayi	Niemann-Pick C1 protein precursor	0.0118	0.1536	0.3229
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0186	0.3253
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0028	0.0174	0.0553
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0169	0.0169
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0028	0.0174	0.3049
Echinococcus granulosus	sterol regulatory element binding protein	0.005	0.0512	0.0512
Schistosoma mansoni	hypothetical protein	0.0037	0.0301	0.0301
Brugia malayi	beta-lactamase	0.0043	0.0398	0.0837
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0398	0.1012
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0153	0.0322
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0065	0.0136
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0398	0.0826
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0036	0.0291	0.0924
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0398	0.0916
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0186	0.0186
Echinococcus multilocularis	ornithine aminotransferase	0.0054	0.0571	0.0571
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0174	0.0366
Onchocerca volvulus		0.0043	0.0398	0.0532
Mycobacterium leprae	Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM	0.0026	0.014	0.2455
Mycobacterium tuberculosis	Probable acetylornithine aminotransferase ArgD	0.0054	0.0571	0.1451
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0398	0.1012
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0291	0.0291
Brugia malayi	Inositol-1	0.0036	0.0291	0.0612
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0065	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0398	0.0837
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0174	0.0401
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.0291	0.0291
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0223	0.3151	1
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1536	0.3229
Trichomonas vaginalis	esterase, putative	0.0043	0.0398	0.0826
Mycobacterium leprae	PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT)	0.0026	0.014	0.2455
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.0291	0.0483
Plasmodium falciparum	ornithine aminotransferase	0.0054	0.0571	1
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0069	0.0793	0.1825
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0398	0.0826
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0398	0.6586
Echinococcus multilocularis	lamin dm0	0.0027	0.0153	0.0153
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0186	0.0186
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0153	0.0153
Echinococcus granulosus	ornithine aminotransferase	0.0054	0.0571	0.0571
Echinococcus multilocularis	Aminotransferase class III	0.0054	0.0571	0.0571
Brugia malayi	Cytochrome P450 family protein	0.0027	0.016	0.0336
Entamoeba histolytica	hypothetical protein	0.0037	0.0301	0.0427
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0398	0.0837
Brugia malayi	Pre-SET motif family protein	0.0029	0.0186	0.039
Echinococcus multilocularis	ornithine aminotransferase	0.0054	0.0571	0.0571
Schistosoma mansoni	thyroid hormone receptor	0.0132	0.1764	0.1764
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0398	0.0826
Echinococcus multilocularis	protein patched	0.005	0.0512	0.0512
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0398	0.0826
Brugia malayi	intermediate filament protein	0.0027	0.0153	0.0322
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0065	0.0136
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0028	0.0174	0.0553
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0223	0.3151	0.6622
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0026	0.014	0.2455
Echinococcus granulosus	geminin	0.0398	0.5822	0.5822
Entamoeba histolytica	hypothetical protein	0.0037	0.0301	0.0427
Mycobacterium ulcerans	ornithine aminotransferase RocD1 and RocD2	0.0054	0.0571	0.1812
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0119	0.1564	0.1564
Onchocerca volvulus		0.0223	0.3151	0.651
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0153	0.0322
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0174	0.0443
Mycobacterium leprae	Probable Acetylornithine aminotransferase ArgD	0.0054	0.0571	1
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0301	0.0301
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0032	0.0234	0.0593
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0398	0.0398
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0398	0.1012
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0201	0.2698
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0174	0.0553
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0186	0.0186
Schistosoma mansoni	hypothetical protein	0.0049	0.0484	0.0484
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0047	0.012
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0291	0.067
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0291	0.0483
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0118	0.1536	0.4576
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0174	0.0366
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0186	0.039
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0223	0.3151	0.9642
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0223	0.3151	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0174	0.0553
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0398	0.1012
Brugia malayi	hypothetical protein	0.0329	0.4759	1
Schistosoma mansoni	lamin	0.0027	0.0153	0.0153
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0398	0.0837
Echinococcus granulosus	Niemann Pick C1 protein	0.0118	0.1536	0.1536
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0223	0.3151	0.9642
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0065	0.0136
Brugia malayi	CHE-14 protein	0.005	0.0512	0.1076
Mycobacterium tuberculosis	Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at)	0.0026	0.014	0.0356
Trypanosoma cruzi	hypothetical protein, conserved	0.0069	0.0793	0.1825
Schistosoma mansoni	patched 1	0.005	0.0512	0.0512
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0291	0.0291
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0201	0.0464
Brugia malayi	Cytochrome P450 family protein	0.0062	0.0696	0.1462
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0398	0.1012
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0047	0.012
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0174	0.0366
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0047	0.012
Mycobacterium ulcerans	lipase LipD	0.0043	0.0398	0.1264
Entamoeba histolytica	hypothetical protein	0.0037	0.0301	0.0427
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0398	0.0837
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0174	0.0553
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0291	0.067
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0502	0.1055
Schistosoma mansoni	hypothetical protein	0.0049	0.0484	0.0484
Loa Loa (eye worm)	hypothetical protein	0.005	0.0512	0.1076
Echinococcus granulosus	intermediate filament protein	0.0027	0.0153	0.0153
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0398	0.6974
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0174	0.0401
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0042	0.0389	0.0896
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0054	0.0571	0.0571
Loa Loa (eye worm)	hypothetical protein	0.003	0.0201	0.0423
Mycobacterium ulcerans	L-lysine aminotransferase	0.0026	0.014	0.0445
Trypanosoma cruzi	cytochrome P450, putative	0.0027	0.016	0.0367
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0398	0.0916
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0174	0.0401
Echinococcus multilocularis	expressed conserved protein	0.011	0.1428	0.1428
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0028	0.0174	0.0553
Echinococcus multilocularis	sterol regulatory element binding protein	0.005	0.0512	0.0512
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0223	0.3151	0.5
Echinococcus granulosus	Aminotransferase class III	0.0054	0.0571	0.0571
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0301	0.0301
Brugia malayi	beta-lactamase family protein	0.0043	0.0398	0.0837
Onchocerca volvulus		0.0043	0.0398	0.0532
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0398	0.0837
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0186	0.0186
Schistosoma mansoni	hypothetical protein	0.0049	0.0484	0.0484
Echinococcus multilocularis	musashi	0.0027	0.0153	0.0153
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0502	0.1055
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0054	0.0571	1
Echinococcus granulosus	expressed conserved protein	0.011	0.1428	0.1428
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0153	0.0322
Echinococcus granulosus	lamin	0.0027	0.0153	0.0153
Echinococcus multilocularis	Niemann Pick C1 protein	0.0168	0.2306	0.2306
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0398	0.0398
Brugia malayi	beta-lactamase family protein	0.0043	0.0398	0.0837
Chlamydia trachomatis	glutamate-1-semialdehyde-2,1-aminomutase	0.0026	0.014	1
Leishmania major	cytochrome p450-like protein	0.0027	0.016	0.0367
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0028	0.0174	0.0553
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0201	0.0464
Echinococcus multilocularis	Niemann Pick C1 protein	0.0118	0.1536	0.1536
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0186	0.0186
Onchocerca volvulus		0.0231	0.3263	0.6753
Echinococcus multilocularis	X box binding protein 1	0.0344	0.4993	0.4993
Onchocerca volvulus		0.0028	0.0174	0.0046
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0512	0.1191
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0398	0.1012
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.0389	0.0896
Loa Loa (eye worm)	hypothetical protein	0.005	0.0502	0.1055
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0026	0.014	0.0445
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0143	0.1921	0.442
Mycobacterium tuberculosis	Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase)	0.0026	0.014	0.0356
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0398	0.1012
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0201	0.3527
Plasmodium vivax	ornithine aminotransferase, putative	0.0054	0.0571	1
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0398	0.1012
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0155	0.21	0.5338
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0502	0.1055
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0186	0.0186
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0275	0.3935	1
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0398	0.1012
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.0389	0.0896
Echinococcus granulosus	Niemann Pick C1 protein	0.0168	0.2306	0.2306
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0026	0.014	0.0295
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0398	0.0837
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0026	0.014	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0174	0.0366
Toxoplasma gondii	hypothetical protein	0.0049	0.0484	0.8484
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0201	0.2698
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0223	0.3151	1
Schistosoma mansoni	hypothetical protein	0.0034	0.0261	0.0261
Loa Loa (eye worm)	cytochrome P450 family protein	0.0027	0.016	0.0336
Toxoplasma gondii	ornithine aminotransferase, mitochondrial precursor, putative	0.0054	0.0571	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0143	0.1921	0.442
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0398	0.0398
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0174	0.0366
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0132	0.1764	0.1764
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0223	0.3151	0.9642
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0069	0.0793	0.209
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0028	0.0174	0.3049
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0223	0.3151	0.9642
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0301	0.0301
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0123	0.1613	0.1613
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0065	0.0136
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.0291	0.0393
Mycobacterium ulcerans	acetylornithine aminotransferase	0.0054	0.0571	0.1812
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0685	0.144
Echinococcus multilocularis	protein dispatched 1	0.0058	0.0621	0.0621
Trypanosoma cruzi	hypothetical protein, conserved	0.0069	0.0793	0.1825
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0398	0.0398
Echinococcus multilocularis	lamin	0.0027	0.0153	0.0153
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0398	0.6974
Schistosoma mansoni	hypothetical protein	0.0344	0.4993	0.4993
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0153	0.0322
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0398	0.1264
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.0291	0.5097
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0398	0.1264
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0174	0.0366
Mycobacterium ulcerans	glutamate-1-semialdehyde aminotransferase	0.0026	0.014	0.0445
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0021	0.0065	0.0165
Loa Loa (eye worm)	CYP4Cod1	0.0027	0.016	0.0336
Brugia malayi	Cytochrome P450 family protein	0.0027	0.016	0.0336
Onchocerca volvulus		0.0029	0.0186	0.0071
Mycobacterium tuberculosis	Probable aminotransferase	0.0026	0.014	0.0356
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0186	0.0186
Trypanosoma cruzi	cytochrome P450, putative	0.0027	0.016	0.0367
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0291	0.067
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0026	0.014	0.0445
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0223	0.3151	0.9642
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0146	0.0306
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0052	0.0531	0.1222
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.005	0.0512	0.1076
Brugia malayi	hypothetical protein	0.0037	0.0301	0.0633
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0223	0.3151	0.6622
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0159	0.2167	0.5507
Echinococcus multilocularis	geminin	0.0398	0.5822	0.5822
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0123	0.1613	0.1613
Loa Loa (eye worm)	inositol-1	0.0036	0.0291	0.0612
Brugia malayi	Pre-SET motif family protein	0.0203	0.2836	0.5959
Trypanosoma brucei	cytochrome P450, putative	0.0027	0.016	0.0367
Echinococcus granulosus	X box binding protein 1	0.0344	0.4993	0.4993
Mycobacterium ulcerans	hypothetical protein	0.0159	0.2167	0.6876
Schistosoma mansoni	hypothetical protein	0.0123	0.1613	0.1613
Echinococcus granulosus	Protein patched homolog 1	0.005	0.0512	0.0512
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0291	0.067
Trichomonas vaginalis	set domain proteins, putative	0.0231	0.3263	1
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0398	0.0916
Echinococcus granulosus	lamin dm0	0.0027	0.0153	0.0153
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0398	0.1012
Onchocerca volvulus		0.0329	0.4759	1
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0027	0.016	0.0507
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0028	0.0174	0.0443
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.002	0.0047	0.012
Schistosoma mansoni	hypothetical protein	0.0398	0.5822	0.5822
Loa Loa (eye worm)	hypothetical protein	0.0329	0.4759	1
Mycobacterium tuberculosis	Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase)	0.0026	0.014	0.0356
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0021	0.0065	0.0206
Loa Loa (eye worm)	cytochrome P450 family protein	0.0062	0.0696	0.1462
Schistosoma mansoni	hypothetical protein	0.0398	0.5822	0.5822

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)		Inhibition of human recombinant OAT using 1 mM alpha-ketoglutarate as substrate	ChEMBL.	26288681
Activity (binding)		Inhibition of human recombinant OAT using 1 mM alpha-ketoglutarate as substrate	ChEMBL.	26288681
Inhibition (functional)		Reduction in AFP secretion in Hep3B cells xenografted Balb/C mouse serum at 500 ug/kg, ip administered as single dose by ELISA	ChEMBL.	26288681
Inhibition (binding)		Irreversible inhibition of human recombinant OAT for 24 hrs using 0.1 mM alpha-ketoglutarate as substrate measured 48 hrs after dialysis	ChEMBL.	26288681
Ki (binding)	= 2.1 nM	Inhibition of human recombinant OAT using 1 mM alpha-ketoglutarate as substrate	ChEMBL.	26288681

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: CHEMBL1232972

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1188068