TDR Targets

Basic information

Technical information

TDR Targets ID: 1176836
Name: 4H-thieno[2,3-d]pyrrole-5-carboxylic acid
MW: 167.185 | Formula: C7H5NO2S
H donors: 2 H acceptors: 2 LogP: 1.68 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)c1cc2c([nH]1)ccs2
InChi: 1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
InChiKey: PMHDSACGRKBACK-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

CC 39001

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cytochrome P450, family 2, subfamily D, polypeptide 6	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	References
Homo sapiens	D-amino-acid oxidase	Starlite/ChEMBL	References
Bos taurus	D-aspartate oxidase	Starlite/ChEMBL	References
Homo sapiens	potassium voltage-gated channel, subfamily H (eag-related), member 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	Get druggable targets OG5_127583	All targets in OG5_127583
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	Potassium voltage-gated channel subfamily H member 2, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Candida albicans	D-amino acid oxidase	Get druggable targets OG5_127583	All targets in OG5_127583
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	ko:K00272 D-aspartate oxidase [EC1.4.3.1], putative	Get druggable targets OG5_127583	All targets in OG5_127583
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127583	All targets in OG5_127583
Candida albicans	putative d-amino acid oxidase	Get druggable targets OG5_127583	All targets in OG5_127583
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	putative d-amino acid oxidase	Get druggable targets OG5_127583	All targets in OG5_127583
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma mansoni	d-amino acid oxidase	Get druggable targets OG5_127583	All targets in OG5_127583
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	Get druggable targets OG5_127583	All targets in OG5_127583
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus multilocularis	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128858	All targets in OG5_128858
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus granulosus	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Mycobacterium ulcerans	D-amino acid oxidase Aao	Get druggable targets OG5_127583	All targets in OG5_127583
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	voltage and ligand gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Candida albicans	D-amino acid oxidase	Get druggable targets OG5_127583	All targets in OG5_127583
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	Get druggable targets OG5_128858	All targets in OG5_128858

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium ulcerans	D-amino acid oxidase Aao	D-aspartate oxidase	341 aa	379 aa	28.0 %
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %
Mycobacterium ulcerans	D-amino acid oxidase Aao	D-amino-acid oxidase	347 aa	378 aa	24.6 %
Candida albicans	similar to putative d-amino acid oxidase	D-aspartate oxidase	341 aa	391 aa	21.7 %
Onchocerca volvulus	Unconventional prefoldin RPB5 interactor 1 homolog	D-aspartate oxidase	341 aa	340 aa	28.5 %
Brugia malayi	cytochrome P450	cytochrome P450, family 2, subfamily D, polypeptide 6	497 aa	425 aa	32.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	NAD dehydrogenase	0.0032	0.0148	0.0148
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.0261	0.0261
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0.0071	0.5
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0472	0.1783
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0353	0.1332
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.0071	0.0451
Schistosoma mansoni	ATP:guanidino kinase (Smc74)	0.0032	0.0148	0.0148
Brugia malayi	beta-lactamase family protein	0.0079	0.0472	0.3015
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0032	0.0148	0.036
Brugia malayi	ecdysteroid receptor	0.0021	0.0071	0.0451
Brugia malayi	cDNA sequence BC016226	0.0032	0.0148	0.0947
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0071	0.0267
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.0011	0.0011
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0071	0.0451
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase, putative	0.0032	0.0148	0.2239
Echinococcus granulosus	lipoxygenase domain containing protein	0.0021	0.0069	0.0069
Brugia malayi	Cytochrome P450 family protein	0.0019	0.0055	0.035
Trypanosoma brucei	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0032	0.0148	0.2239
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0021	0.0071	0.0071
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0097	0.0599	0.3822
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0353	0.0353
Mycobacterium tuberculosis	Probable esterase LipL	0.0079	0.0472	0.1189
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase GlpD2	0.0032	0.0148	0.036
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0021	0.0071	0.0395
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0021	0.0071	0.0451
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0021	0.0071	0.0071
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0021	0.0071	0.0395
Toxoplasma gondii	ABC1 family protein	0.0079	0.0472	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0014	0.0052
Echinococcus multilocularis	lamin dm0	0.0027	0.0113	0.0113
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.0599	0.0599
Brugia malayi	hypothetical protein	0.0235	0.1566	1
Schistosoma mansoni	ap endonuclease	0.0021	0.0071	0.0071
Entamoeba histolytica	NAD(FAD)-dependent dehydrogenase, putative	0.0032	0.0148	0.7261
Echinococcus granulosus	lamin	0.0027	0.0113	0.0113
Onchocerca volvulus	Bile acid receptor homolog	0.0021	0.0071	0.0038
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0353	0.0353
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0079	0.0472	0.0472
Brugia malayi	RE18450p	0.0032	0.0148	0.0947
Schistosoma mansoni	polycystin 1-related	0.0021	0.0069	0.0069
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0079	0.0472	0.1189
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0079	0.0472	0.1609
Entamoeba histolytica	hypothetical protein	0.0037	0.0177	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0021	0.0071	0.0071
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0021	0.0071	0.0267
Onchocerca volvulus	Protein ultraspiracle homolog	0.0021	0.0071	0.0038
Brugia malayi	nuclear receptor NHR-88	0.0021	0.0071	0.0451
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0097	0.0599	0.0599
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0021	0.0071	0.0071
Echinococcus multilocularis	neuropeptide s receptor	0.0966	0.6686	0.6686
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0071	0.0395
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0071	0.0071
Schistosoma mansoni	hypothetical protein	0.0194	0.1276	0.1276
Brugia malayi	Doublecortin family protein	0.0021	0.0069	0.0441
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0071	0.0451
Brugia malayi	Steroid receptor seven-up type 2	0.0021	0.0071	0.0451
Echinococcus multilocularis	lamin	0.0027	0.0113	0.0113
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0021	0.0071	0.0071
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0021	0.0071	0.0451
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0021	0.0071	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0148	0.056
Brugia malayi	follicle stimulating hormone receptor	0.023	0.1534	0.9799
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0021	0.0071	0.0267
Trichomonas vaginalis	D-aminoacylase, putative	0.0079	0.0472	1
Trypanosoma brucei	FAD dependent oxidoreductase, putative	0.0032	0.0148	0.2239
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0472	0.1783
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0021	0.0071	0.0071
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.0024	0.0152
Trypanosoma cruzi	FAD dependent oxidoreductase, putative	0.0032	0.0148	0.2239
Brugia malayi	hypothetical protein	0.0037	0.0177	0.1132
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0353	0.0353
Loa Loa (eye worm)	steroid hormone receptor	0.0021	0.0071	0.0267
Mycobacterium tuberculosis	Conserved protein	0.0079	0.0472	0.1189
Trichomonas vaginalis	D-aminoacylase, putative	0.0079	0.0472	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0071	0.0395
Brugia malayi	intermediate filament protein	0.0027	0.0113	0.0722
Onchocerca volvulus	Dimethylglycine dehydrogenase, mitochondrial homolog	0.0032	0.0148	0.1965
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0097	0.0599	0.0599
Echinococcus granulosus	RUN	0.0021	0.0069	0.0069
Trypanosoma cruzi	hypothetical protein, conserved	0.0079	0.0472	1
Brugia malayi	hypothetical protein	0.0021	0.0069	0.0441
Trichomonas vaginalis	D-aminoacylase, putative	0.0079	0.0472	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0021	0.0071	0.0071
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0071	0.0071
Echinococcus granulosus	voltage gated potassium channel	0.0013	0.0011	0.0011
Onchocerca volvulus	Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog	0.0032	0.0148	0.1965
Onchocerca volvulus		0.0079	0.0472	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0071	0.5
Echinococcus multilocularis	musashi	0.0027	0.0113	0.0113
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0113	0.0427
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0071	0.0071
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0097	0.0599	0.0599
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0353	0.1332
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0021	0.0071	0.0071
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0045	0.0233	0.1487
Echinococcus multilocularis	FTZ F1 alpha	0.0021	0.0071	0.0071
Brugia malayi	TAR-binding protein	0.0062	0.0353	0.2252
Echinococcus granulosus	geminin	0.0194	0.1276	0.1276
Schistosoma mansoni	glycerol-3-phosphate dehydrogenase	0.0032	0.0148	0.0148
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0071	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0071	0.0267
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0113	0.0722
Brugia malayi	beta-lactamase family protein	0.0079	0.0472	0.3015
Brugia malayi	RNA binding protein	0.0062	0.0353	0.2252
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0021	0.0071	0.0451
Leishmania major	hypothetical protein, conserved	0.0032	0.0148	0.2239
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0071	0.0451
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0503	0.3443	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0021	0.0071	0.0451
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0353	0.2252
Echinococcus granulosus	lamin dm0	0.0027	0.0113	0.0113
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0021	0.0069	0.0069
Mycobacterium tuberculosis	Probable hydrolase	0.0079	0.0472	0.1189
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0071	0.0071
Schistosoma mansoni	hypothetical protein	0.0048	0.0256	0.0256
Brugia malayi	beta-lactamase	0.0079	0.0472	0.3015
Brugia malayi	photoreceptor-specific nuclear receptor	0.0021	0.0071	0.0451
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.023	0.1534	0.5793
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0472	0.1783
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0071	0.0451
Mycobacterium tuberculosis	Conserved protein	0.0079	0.0472	0.1189
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0021	0.0071	0.0267
Loa Loa (eye worm)	hypothetical protein	0.0013	0.001	0.0038
Loa Loa (eye worm)	cytochrome P450 family protein	0.0019	0.0055	0.0207
Mycobacterium tuberculosis	Probable lipase LipD	0.0079	0.0472	0.1189
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0353	0.0353
Onchocerca volvulus		0.0048	0.0256	0.4648
Mycobacterium ulcerans	beta-lactamase	0.0079	0.0472	0.1609
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0013	0.0011	0.0011
Schistosoma mansoni	hypothetical protein	0.0037	0.0177	0.0177
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.0014	0.0014
Entamoeba histolytica	hypothetical protein	0.0037	0.0177	1
Onchocerca volvulus		0.0027	0.0113	0.1092
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0045	0.0233	0.0879
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0021	0.0071	0.0071
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0021	0.0071	0.0267
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0071	0.0071
Trypanosoma cruzi	hypothetical protein, conserved	0.0079	0.0472	1
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.039	0.2649	1
Echinococcus multilocularis	FAD dependent oxidoreductase domain containing protein	0.0032	0.0148	0.0148
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0021	0.0071	0.0267
Trypanosoma cruzi	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0032	0.0148	0.2239
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0472	0.1783
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0059	0.0336	0.0336
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	0.039	0.2649	1
Echinococcus granulosus	survival motor neuron protein 1	0.0235	0.1566	0.1566
Plasmodium vivax	hypothetical protein, conserved	0.0079	0.0472	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0021	0.0071	0.0071
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0353	0.0353
Brugia malayi	nuclear hormone receptor	0.0021	0.0071	0.0451
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0021	0.0071	0.0451
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0013	0.0011	0.0072
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0079	0.0472	0.3015
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0059	0.0336	0.0336
Onchocerca volvulus		0.0021	0.0071	0.0038
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0021	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0071	0.0267
Echinococcus granulosus	neuropeptide receptor A26	0.0966	0.6686	0.6686
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.0735	0.2774
Loa Loa (eye worm)	hypothetical protein	0.0013	0.001	0.0038
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0177	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0071	0.0267
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0071	0.0267
Chlamydia trachomatis	D-amino acid dehydrogenase	0.0032	0.0148	0.5
Mycobacterium ulcerans	thiamine biosynthesis oxidoreductase ThiO	0.0032	0.0148	0.036
Schistosoma mansoni	hypothetical protein	0.0021	0.0069	0.0069
Echinococcus multilocularis	Polycystic kidney disease protein	0.0021	0.0069	0.0069
Giardia lamblia	Glycerol-3-phosphate dehydrogenase	0.0032	0.0148	1
Plasmodium falciparum	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0032	0.0148	1
Plasmodium vivax	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0032	0.0148	0.1965
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0071	0.0267
Onchocerca volvulus		0.0027	0.0113	0.1092
Echinococcus granulosus	beta LACTamase domain containing family member	0.0079	0.0472	0.0472
Leishmania major	hypothetical protein, conserved	0.0032	0.0148	0.2239
Trypanosoma brucei	hypothetical protein, conserved	0.0079	0.0472	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0212	0.3516
Trichomonas vaginalis	esterase, putative	0.0079	0.0472	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0021	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0148	0.056
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0353	0.0353
Schistosoma mansoni	rab6-interacting	0.0021	0.0069	0.0069
Schistosoma mansoni	lipoxygenase	0.0059	0.0336	0.0336
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0353	0.0353
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0825	0.57	0.57
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0045	0.0233	0.0233
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0256	0.0256
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0021	0.0071	0.0071
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0071	0.0451
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0079	0.0472	0.0472
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0212	0.3516
Echinococcus multilocularis	neuropeptide receptor A26	0.0966	0.6686	0.6686
Leishmania major	hypothetical protein, conserved	0.0079	0.0472	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0021	0.0071	0.0071
Echinococcus granulosus	lipoxygenase domain containing protein	0.0021	0.0069	0.0069
Loa Loa (eye worm)	beta-lactamase	0.0079	0.0472	0.1783
Mycobacterium ulcerans	lipase LipD	0.0079	0.0472	0.1609
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0071	0.0071
Loa Loa (eye worm)	glycerol-3-phosphate dehydrogenase	0.0032	0.0148	0.056
Echinococcus multilocularis	ecdysone induced protein 78C	0.0021	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0192	0.0723
Entamoeba histolytica	anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative	0.0032	0.0148	0.7261
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.0735	0.2774
Echinococcus multilocularis	survival motor neuron protein 1	0.0235	0.1566	0.1566
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.0599	0.0599
Mycobacterium tuberculosis	Probable lipase LipE	0.0079	0.0472	0.1189
Echinococcus granulosus	FTZ F1 alpha	0.0021	0.0071	0.0071
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0097	0.0599	0.226
Trypanosoma brucei	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0032	0.0148	0.2239
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0256	0.1638
Loa Loa (eye worm)	hypothetical protein	0.0235	0.1566	0.5912
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0011	0.0043
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0021	0.0071	0.0267
Trypanosoma brucei	electron transfer flavoprotein-ubiquinone oxidoreductase, putative	0.0032	0.0148	0.2239
Mycobacterium ulcerans	hypothetical protein	0.0079	0.0472	0.1609
Schistosoma mansoni	loxhd1	0.0021	0.0069	0.0069
Loa Loa (eye worm)	doublecortin family protein	0.0021	0.0069	0.0261
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0079	0.0472	0.1783
Entamoeba histolytica	hypothetical protein	0.0037	0.0177	1
Schistosoma mansoni	fad oxidoreductase	0.0032	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0071	0.0267
Brugia malayi	dimethylglycine dehydrogenase, mitochondrial precursor, putative	0.0032	0.0148	0.0947
Trypanosoma cruzi	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0032	0.0148	0.2239
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0071	0.0071
Onchocerca volvulus		0.0079	0.0472	1
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0353	0.1332
Echinococcus granulosus	intermediate filament protein	0.0027	0.0113	0.0113
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.0011	0.0011
Mycobacterium leprae	conserved hypothetical protein	0.0079	0.0472	0.1295
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0177	0.0177
Trichomonas vaginalis	penicillin-binding protein, putative	0.0079	0.0472	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0097	0.0599	0.0599
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0013	0.0011	0.0011
Schistosoma mansoni	rab6-interacting	0.0021	0.0069	0.0069
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.0261	0.0261
Echinococcus multilocularis	geminin	0.0194	0.1276	0.1276
Echinococcus granulosus	ecdysone induced protein 78C	0.0021	0.0071	0.0071
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0079	0.0472	0.1189
Brugia malayi	MH2 domain containing protein	0.0116	0.0735	0.4692
Loa Loa (eye worm)	cytochrome P450 family protein	0.0019	0.0055	0.0207
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase	0.0032	0.0148	0.036
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0021	0.0069	0.0069
Schistosoma mansoni	lamin	0.0027	0.0113	0.0113
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0021	0.0071	0.0071
Loa Loa (eye worm)	CYP4Cod1	0.0019	0.0055	0.0207
Brugia malayi	Cytochrome P450 family protein	0.0019	0.0055	0.035
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0177	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0113	0.0427
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0079	0.0472	0.1189
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 20	0.0032	0.0148	0.2239
Mycobacterium tuberculosis	Conserved protein	0.0079	0.0472	0.1189
Schistosoma mansoni	lipoxygenase	0.0021	0.0069	0.0069
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0021	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0069	0.0261
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0079	0.0472	0.0472
Brugia malayi	pyruvate dehydrogenase phosphatase regulatory subunit precursor	0.0032	0.0148	0.0947
Echinococcus multilocularis	voltage gated potassium channel	0.0013	0.0011	0.0011
Brugia malayi	hypothetical protein	0.0021	0.0069	0.0441
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0021	0.0071	0.0064
Schistosoma mansoni	nuclear hormone receptor	0.0021	0.0071	0.0071
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0071	0.0282
Schistosoma mansoni	ap endonuclease	0.0021	0.0071	0.0071
Echinococcus granulosus	Polycystic kidney disease protein	0.0021	0.0069	0.0069
Echinococcus granulosus	FAD dependent oxidoreductase domain containing protein	0.0032	0.0148	0.0148
Schistosoma mansoni	coup transcription factor	0.0021	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0071	0.0267
Schistosoma mansoni	hypothetical protein	0.0194	0.1276	0.1276
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0045	0.0233	0.0233
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0024	0.009
Mycobacterium leprae	Probable lipase LipE	0.0079	0.0472	0.1295
Trichomonas vaginalis	penicillin-binding protein, putative	0.0079	0.0472	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0177	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0021	0.0071	0.0451
Leishmania major	glycerol-3-phosphate dehydrogenase-like protein	0.0032	0.0148	0.2239
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0021	0.0071	0.0267
Schistosoma mansoni	d-amino acid oxidase	0.039	0.2649	0.2649
Toxoplasma gondii	hypothetical protein	0.0032	0.0148	0.192
Mycobacterium ulcerans	esterase/lipase LipP	0.0079	0.0472	0.1609
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0021	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0472	0.1783
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0032	0.0148	0.2239
Onchocerca volvulus	Putative fad oxidoreductase	0.0032	0.0148	0.1965
Mycobacterium tuberculosis	Possible thiamine biosynthesis oxidoreductase ThiO	0.0032	0.0148	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0027	0.011	0.0414
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0021	0.0071	0.0071
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0071	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0069	0.0261
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	0.0357	0.2421	0.6971
Schistosoma mansoni	lamin	0.0027	0.0113	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0472	0.1783
Schistosoma mansoni	retinoic acid receptor RXR	0.0021	0.0071	0.0071
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.0014	0.0014
Echinococcus multilocularis	RUN	0.0021	0.0069	0.0069
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0032	0.0148	0.2239
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0071	0.0071
Echinococcus granulosus	glycerol 3 phosphate dehydrogenase	0.0032	0.0148	0.0148
Toxoplasma gondii	FAD-dependent glycerol-3-phosphate dehydrogenase	0.0032	0.0148	0.192
Echinococcus multilocularis	glycerol 3 phosphate dehydrogenase	0.0032	0.0148	0.0148
Trypanosoma brucei	glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial	0.0032	0.0148	0.2239
Onchocerca volvulus		0.0079	0.0472	1
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0113	0.0427
Brugia malayi	steroid hormone receptor	0.0021	0.0071	0.0451
Loa Loa (eye worm)	hypothetical protein	0.039	0.2649	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0021	0.0071	0.0451
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0097	0.0599	0.0599
Echinococcus granulosus	neuropeptide s receptor	0.0966	0.6686	0.6686
Schistosoma mansoni	fad oxidoreductase	0.0032	0.0148	0.0148
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0071	0.0269
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0113	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0148	0.056
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0071	0.0455

Activities

Activity type	Activity value	Assay description	Source	Reference
AUC (ADMET)	= 302 ng.ml/hr	AUC (0 to last) in Swiss mouse brain at 10 mg/kg, po	ChEMBL.	21880399
CL (ADMET)	= 21 ml/min.kg	Plasma clearance in Swiss mouse plasma at 1 mg/kg, iv	ChEMBL.	21880399
Cmax (ADMET)	= 336 ng/ml	Cmax in Swiss mouse brain at 10 mg/kg, po	ChEMBL.	21880399
Drug uptake (ADMET)	< 1 uM	Drug uptake in C57BL/6 mouse cerebellum at 12 mg/kg, ip after 2 hrs by LC/MS/MS analysis	ChEMBL.	23631755
F (ADMET)	= 56 %	Oral bioavailability (0 to last) in Swiss mouse plasma at 10 mg/kg	ChEMBL.	21880399
IC50 (binding)	> 5	Inhibition of bovine recombinant DASPO expressed in Escherichia coli preincubated for 15 mins by fluorescence assay	ChEMBL.	21880399
IC50 (binding)	> 5	Inhibition of human ERG expressed in HEK293 cells by whole cell voltage patch clamp technique	ChEMBL.	21880399
IC50 (binding)	= 8.27	Inhibition of DAAO (unknown origin)	ChEMBL.	23631755
IC50 (binding)	= 8.27	Competitive inhibition of human recombinant DAAO after 1 hr by coupled enzyme assay in presence of D-serine	ChEMBL.	23631755
IC50 (binding)	= 1.4 nM	Inhibition of human recombinant DAAO after 30 mins by plate reader analysis	ChEMBL.	23566269
IC50 (binding)	= 11.9 nM	Inhibition of human recombinant DAAO expressed in Escherichia coli assessed as H2O2 production from D-serine degradation after 30 mins by fluorescence assay	ChEMBL.	21880399
IC50 (binding)	= 145 nM	Inhibition of human DAAO	ChEMBL.	21880399
IC50 (binding)	= 147 nM	Inhibition of DAAO (unknown origin) by cell based assay	ChEMBL.	23566269
IC50 (binding)	= 245 nM	Inhibition of human DAO	ChEMBL.	18455394
IC50 (ADMET)	> 10 uM	Inhibition of CYP3A4	ChEMBL.	18455394
IC50 (ADMET)	> 10 uM	Inhibition of CYP2D6	ChEMBL.	18455394
Kd (binding)	= 6 nM	Binding affinity to human recombinant DAAO by kinetic study scintillation proximity assay	ChEMBL.	21880399
Kd (binding)	= 19 nM	Binding affinity to human recombinant DAAO by isothermal titration calorimeter analysis	ChEMBL.	21880399
Kd (binding)	= 33 nM	Binding affinity to human recombinant DAAO by steady state study scintillation proximity assay	ChEMBL.	21880399
Kd (binding)	= 0.13 uM	Binding affinity to human recombinant DAAO at 490 nm spectral modification by spectrophotometric analysis in presence of FAD	ChEMBL.	23631755
Kd (binding)	= 2.5 uM	Binding affinity to human recombinant DAAO at 520 nm spectral modification by spectrophotometric analysis in presence of FAD	ChEMBL.	23631755
Kd (binding)	= 7 uM	Binding affinity to human recombinant DAAO by stopped flow spectrophotometric analysis in presence of FAD	ChEMBL.	23631755
Ki (binding)	= 3.5 nM	Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine	ChEMBL.	23631755
Papp (ADMET)	= 47 10'-8m/s	Apparent permeability across apical to basolateral side in human Caco2 cells by LC-MS/MS analysis	ChEMBL.	21880399
T1/2 (ADMET)	= 1 hr	Terminal half life in Swiss mouse brain at 10 mg/kg, po	ChEMBL.	21880399
T1/2 (binding)	= 10 min	Binding affinity to human recombinant DAAO assessed as drug-enzyme complex half life	ChEMBL.	21880399
Tmax (ADMET)	= 0.25 hr	Tmax in Swiss mouse brain at 10 mg/kg, po	ChEMBL.	21880399
Vd (ADMET)	= 0.4 L/Kg	Volume of distribution in Swiss mouse plasma at 1 mg/kg, iv	ChEMBL.	21880399

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: CHEMBL507614

Bibliographic References

4 literature references were collected for this gene.

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Detailed information for compound 1176836