TDR Targets

Basic information

Technical information

TDR Targets ID: 1325296
Name: (4R,6R)-4-(1-benzothiophen-3-yl)-6-(4-hydroxy butoxy)-N-prop-2-ynyl-5,6-dihydro-4H-pyran-2- carboxamide
MW: 385.477 | Formula: C21H23NO4S
H donors: 2 H acceptors: 2 LogP: 3.28 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: OCCCCO[C@@H]1OC(=C[C@@H](C1)c1csc2c1cccc2)C(=O)NCC#C
InChi: 1S/C21H23NO4S/c1-2-9-22-21(24)18-12-15(13-20(26-18)25-11-6-5-10-23)17-14-27-19-8-4-3-7-16(17)19/h1,3-4,7-8,12,14-15,20,23H,5-6,9-11,13H2,(H,22,24)/t15-,20+/m0/s1
InChiKey: GAWAPLQXTMGGJW-MGPUTAFESA-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

(4R,6R)-4-(benzothiophen-3-yl)-6-(4-hydroxybutoxy)-N-prop-2-ynyl-5,6-dihydro-4H-pyran-2-carboxamide
(4R,6R)-4-(3-benzothiophenyl)-6-(4-hydroxybutoxy)-N-prop-2-ynyl-5,6-dihydro-4H-pyran-2-carboxamide
(4R,6R)-4-(benzothiophen-3-yl)-6-(4-hydroxybutoxy)-N-propargyl-5,6-dihydro-4H-pyran-2-carboxamide
MLS000830626
SMR000442288

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ubiquitin specific peptidase 1	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	Rap guanine nucleotide exchange factor (GEF) 4	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131726	All targets in OG5_131726
Brugia malayi	N-terminal motif family protein	Get druggable targets OG5_131726	All targets in OG5_131726
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	Get druggable targets OG5_131726	All targets in OG5_131726

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0029	0.0026	0.0828
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0029	0.0026	0.0828
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0034	0.0033	0.1081
Mycobacterium tuberculosis	Hypothetical protein	0.0059	0.0073	0.0064
Toxoplasma gondii	glycosyl transferase, group 4 family protein	0.0036	0.0036	0.1095
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0029	0.0026	0.0702
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0138	0.02	0.0156
Chlamydia trachomatis	phospho-N-acetylmuramoyl-pentapeptide-transferase	0.0324	0.0501	1
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0174	0.0258	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0138	0.02	0.0192
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0034	0.0033	0.1081
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0029	0.0026	0.0702
Brugia malayi	thymidylate synthase	0.0123	0.0177	0.487
Toxoplasma gondii	hypothetical protein	0.0029	0.0026	0.0687
Wolbachia endosymbiont of Brugia malayi	cysteinyl-tRNA synthetase	0.0091	0.0124	0.0861
Schistosoma mansoni	sodium/chloride dependent transporter	0.0029	0.0026	0.0828
Mycobacterium tuberculosis	Probable reductase	0.0124	0.0178	0.017
Plasmodium falciparum	glutathione reductase	0.0054	0.0066	0.2291
Plasmodium falciparum	cysteine--tRNA ligase	0.0091	0.0124	0.4634
Echinococcus multilocularis	cysteinyl tRNA synthetase	0.0091	0.0124	0.4031
Mycobacterium ulcerans	cysteinyl-tRNA synthetase	0.6216	1	1
Loa Loa (eye worm)	glutathione reductase	0.0054	0.0066	0.1804
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0174	0.0258	1
Brugia malayi	cysteinyl tRNA synthetase protein 1	0.0091	0.0124	0.3414
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0174	0.0258	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0138	0.02	0.0192
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0029	0.0026	0.0828
Echinococcus granulosus	leucyl tRNA synthetase	0.0091	0.0124	0.4031
Onchocerca volvulus		0.0174	0.0258	0.6189
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.009	0.0082
Echinococcus granulosus	dihydrofolate reductase	0.005	0.0059	0.1921
Onchocerca volvulus		0.0034	0.0033	0.0799
Trypanosoma cruzi	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.0036	0.0036	0.1095
Brugia malayi	Pre-SET motif family protein	0.0034	0.0033	0.0916
Brugia malayi	dihydrofolate reductase family protein	0.005	0.0059	0.1627
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0029	0.0026	0.0687
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0034	0.0033	0.1081
Plasmodium vivax	cysteine--tRNA ligase, putative	0.0091	0.0124	0.4634
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0019	0.0008	0.0229
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0239	0.0364	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0054	0.0066	0.2291
Onchocerca volvulus		0.0123	0.0177	0.4248
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0124	0.0178	0.0133
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0029	0.0026	0.0828
Echinococcus granulosus	thioredoxin glutathione reductase	0.0054	0.0066	0.213
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0026	0.0702
Plasmodium vivax	flap endonuclease 1, putative	0.003	0.0026	0.0716
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylglucosamine:LPS N-acetylglucosamine transferase	0.0197	0.0295	0.2134
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.0031	0.1015
Echinococcus granulosus	sodium and chloride dependent glycine	0.0029	0.0026	0.0828
Loa Loa (eye worm)	serotonin transporter b	0.0174	0.0258	0.7095
Trichomonas vaginalis	set domain proteins, putative	0.0272	0.0417	1
Echinococcus multilocularis	serotonin transporter	0.0174	0.0258	0.8377
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0174	0.0258	1
Mycobacterium leprae	ProbableUPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide)pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG	0.0144	0.021	0.0166
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0059	0.0073	0.2575
Echinococcus multilocularis	flap endonuclease 1	0.003	0.0026	0.0852
Mycobacterium ulcerans	undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase	0.0197	0.0295	0.0287
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0123	0.0177	0.0132
Toxoplasma gondii	hypothetical protein	0.0029	0.0026	0.0687
Mycobacterium ulcerans	cysteinyl-tRNA synthetase	0.0091	0.0124	0.0116
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0218	0.0329	0.7905
Loa Loa (eye worm)	norepinephrine transporter	0.0174	0.0258	0.7095
Plasmodium falciparum	flap endonuclease 1	0.003	0.0026	0.0716
Trypanosoma cruzi	cysteinyl-tRNA synthetase, putative	0.0091	0.0124	0.4634
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0029	0.0026	0.0828
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0029	0.0026	0.0702
Echinococcus granulosus	flap endonuclease 1	0.003	0.0026	0.0852
Onchocerca volvulus		0.0036	0.0036	0.0857
Mycobacterium tuberculosis	Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX	0.0853	0.1353	0.1346
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0026	0.0702
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0033	0.0916
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0174	0.0258	1
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0029	0.0026	0.0828
Loa Loa (eye worm)	thioredoxin reductase	0.0054	0.0066	0.1804
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0029	0.0026	0.0828
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0036	0.0982
Brugia malayi	hypothetical protein	0.0059	0.0073	0.1999
Trichomonas vaginalis	flap endonuclease-1, putative	0.003	0.0026	0.0438
Plasmodium vivax	SET domain protein, putative	0.0034	0.0033	0.0998
Loa Loa (eye worm)	flap endonuclease-1	0.003	0.0026	0.0721
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0029	0.0026	0.0687
Schistosoma mansoni	cysteinyl-tRNA synthetase	0.0091	0.0124	0.4031
Mycobacterium tuberculosis	Probable UPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG	0.0144	0.021	0.0202
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0174	0.0258	0.8377
Echinococcus granulosus	cysteinyl tRNA synthetase	0.0091	0.0124	0.4031
Schistosoma mansoni	UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase	0.0036	0.0036	0.116
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0029	0.0026	0.0828
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0029	0.0026	0.0702
Onchocerca volvulus		0.0091	0.0124	0.2978
Mycobacterium tuberculosis	Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC	0.6216	1	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.007	0.009	0.2938
Trypanosoma cruzi	cysteinyl-tRNA synthetase, putative	0.0091	0.0124	0.4634
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.003	0.0026	0.0716
Wolbachia endosymbiont of Brugia malayi	phospho-N-acetylmuramoyl-pentapeptide-transferase	0.0853	0.1353	1
Trypanosoma brucei	trypanothione reductase	0.0054	0.0066	0.2291
Plasmodium falciparum	UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.0036	0.0036	0.1095
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0124	0.0178	0.017
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0019	0.0008	0.0271
Treponema pallidum	phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY)	0.0324	0.0501	1
Mycobacterium leprae	Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX	0.0853	0.1353	0.1314
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0124	0.3414
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.003	0.0026	0.0716
Leishmania major	trypanothione reductase	0.0054	0.0066	0.2291
Schistosoma mansoni	flap endonuclease-1	0.0027	0.0022	0.0701
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.007	0.009	0.0082
Echinococcus multilocularis	UDP N acetylglucosamine dolichyl phosphate	0.0036	0.0036	0.116
Chlamydia trachomatis	cysteine--tRNA ligase	0.0091	0.0124	0.2352
Brugia malayi	N-terminal motif family protein	0.0218	0.0329	0.9063
Plasmodium falciparum	transporter, putative	0.0029	0.0026	0.0687
Mycobacterium tuberculosis	Probable glycosyltransferase	0.0042	0.0045	0.0037
Plasmodium falciparum	thioredoxin reductase	0.0054	0.0066	0.2291
Schistosoma mansoni	sodium/chloride dependent transporter	0.0174	0.0258	0.8377
Echinococcus granulosus	geminin	0.0205	0.0308	1
Loa Loa (eye worm)	thymidylate synthase	0.0123	0.0177	0.487
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0029	0.0026	0.0828
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0258	0.7095
Treponema pallidum	cysteinyl-tRNA synthetase	0.0091	0.0124	0.2352
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0029	0.0026	0.0702
Schistosoma mansoni	hypothetical protein	0.0205	0.0308	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0124	0.0178	0.017
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0124	0.0178	0.017
Entamoeba histolytica	UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.0036	0.0036	0.0968
Schistosoma mansoni	UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase	0.0036	0.0036	0.116
Mycobacterium ulcerans	glycosyltransferase	0.0042	0.0045	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0026	0.0702
Treponema pallidum	undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase	0.0197	0.0295	0.583
Trichomonas vaginalis	cysteinyl-tRNA synthetase, putative	0.0091	0.0124	0.2835
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.009	0.2938
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.009	0.2938
Toxoplasma gondii	aldehyde dehydrogenase	0.007	0.009	0.3287
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0258	0.7095
Plasmodium vivax	N-acetylglucosamine-1-phosphate transferase, putative	0.0036	0.0036	0.1095
Schistosoma mansoni	dihydrofolate reductase	0.005	0.0059	0.1921
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.009	0.0082
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.003	0.0026	0.0716
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0026	0.0702
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0026	0.0687
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0026	0.0702
Echinococcus multilocularis	geminin	0.0205	0.0308	1
Plasmodium vivax	glutathione reductase, putative	0.0054	0.0066	0.2291
Plasmodium falciparum	cysteine--tRNA ligase	0.0091	0.0124	0.4634
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.007	0.009	0.3287
Brugia malayi	Dihydrofolate reductase	0.005	0.0059	0.1627
Leishmania major	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.0036	0.0036	0.1095
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0054	0.0066	0.0057
Brugia malayi	Thioredoxin reductase	0.0054	0.0066	0.1804
Onchocerca volvulus		0.0029	0.0026	0.0612
Giardia lamblia	UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase	0.0036	0.0036	0.2363
Brugia malayi	hypothetical protein	0.0029	0.0026	0.0702
Brugia malayi	Flap endonuclease-1	0.003	0.0026	0.0721
Brugia malayi	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase	0.0036	0.0036	0.0982
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0029	0.0026	0.0702
Brugia malayi	Pre-SET motif family protein	0.0239	0.0364	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.009	0.0082
Plasmodium vivax	thioredoxin reductase, putative	0.0054	0.0066	0.2291
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0029	0.0026	0.0828
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0123	0.0177	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0026	0.0702
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.007	0.009	0.2938
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0174	0.0258	1
Toxoplasma gondii	cysteine-tRNA synthetase (CysRS)	0.0091	0.0124	0.4634
Echinococcus granulosus	histone lysine methyltransferase setb	0.0034	0.0033	0.1081
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.005	0.0059	0.0051
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0029	0.0026	0.0828
Brugia malayi	glutathione reductase	0.0054	0.0066	0.1804
Trichomonas vaginalis	conserved hypothetical protein	0.0059	0.0073	0.1575
Echinococcus granulosus	UDP N acetylglucosamine dolichyl phosphate	0.0036	0.0036	0.116
Onchocerca volvulus		0.0029	0.0026	0.0612
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0029	0.0026	0.0828
Mycobacterium tuberculosis	Probable dehydrogenase	0.0124	0.0178	0.017
Chlamydia trachomatis	dihydrofolate reductase	0.005	0.0059	0.1032
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0033	0.1081
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.005	0.0059	0.0014
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0029	0.0026	0.0687
Echinococcus granulosus	serotonin transporter	0.0174	0.0258	0.8377
Loa Loa (eye worm)	cysteinyl tRNA synthetase 1	0.0091	0.0124	0.3414
Entamoeba histolytica	cysteinyl-tRNA synthetase, putative	0.0091	0.0124	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0174	0.0258	0.7095
Echinococcus multilocularis	dihydrofolate reductase	0.005	0.0059	0.1921
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0029	0.0026	0.0828
Plasmodium falciparum	amino acid transporter, putative	0.0029	0.0026	0.0687
Chlamydia trachomatis	UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase	0.0197	0.0295	0.583
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0054	0.0066	0.213
Onchocerca volvulus		0.0029	0.0026	0.0612
Onchocerca volvulus		0.0272	0.0417	1
Mycobacterium ulcerans	undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe	0.0036	0.0036	0.0027
Leishmania major	cysteinyl-tRNA synthetase, putative	0.0091	0.0124	0.4634
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0029	0.0026	0.0828
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0029	0.0026	0.0828
Giardia lamblia	Cysteinyl-tRNA synthetase	0.0091	0.0124	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0124	0.0178	0.017
Loa Loa (eye worm)	hypothetical protein	0.0218	0.0329	0.9063
Trypanosoma cruzi	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.0036	0.0036	0.1095
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0029	0.0026	0.0828
Mycobacterium ulcerans	phospho-N-acetylmuramoyl-pentapeptide-transferase	0.0853	0.1353	0.1346
Trichomonas vaginalis	glucosaminephosphotransferase, putative	0.0036	0.0036	0.067
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0258	0.7095
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0029	0.0026	0.0828
Schistosoma mansoni	hypothetical protein	0.0205	0.0308	1
Mycobacterium ulcerans	thymidylate synthase	0.0123	0.0177	0.0169
Loa Loa (eye worm)	dihydrofolate reductase	0.005	0.0059	0.1627
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0014	0	0.0008
Mycobacterium tuberculosis	Probable glycosyltransferase	0.0042	0.0045	0.0037
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0033	0.1081
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0174	0.0258	0.7095
Echinococcus multilocularis	thymidylate synthase	0.0123	0.0177	0.575
Plasmodium vivax	amine transporter, putative	0.0029	0.0026	0.0687
Schistosoma mansoni	sodium/chloride dependent transporter	0.0029	0.0026	0.0828
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0034	0.0033	0.0998
Echinococcus granulosus	thymidylate synthase	0.0123	0.0177	0.575
Echinococcus granulosus	sodium and chloride dependent glycine	0.0029	0.0026	0.0828
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.003	0.0026	0.0716
Schistosoma mansoni	cysteinyl-tRNA synthetase	0.0091	0.0124	0.4031
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0014	0	0.0008
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0123	0.0177	0.575
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0029	0.0026	0.0828
Toxoplasma gondii	thioredoxin reductase	0.0054	0.0066	0.2291
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0019	0.0008	0.0271
Trypanosoma brucei	cysteinyl-tRNA synthetase, putative	0.0091	0.0124	0.4634
Treponema pallidum	sodium- and chloride- dependent transporter	0.0174	0.0258	0.5071
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0026	0.0702
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0029	0.0026	0.0349
Trypanosoma brucei	UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative	0.0036	0.0036	0.1095
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0033	0.1081
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0138	0.02	0.0192
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.005	0.0059	0.0051
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0019	0.0008	0.0271
Giardia lamblia	Flap structure-specific endonuclease	0.003	0.0026	0.1545

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0046 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.9811 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.3753 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	7.3753 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	7.9433 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	= 44.6684 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1448141

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1325296