TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 424.414 | Formula: C21H23F3N2O4
H donors: 0 H acceptors: 2 LogP: 3.43 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)C1=C(C[C@H]2N([C@@H]1CC2)C(=O)N1CCCC1)c1ccc(cc1)OC(F)(F)F
InChi: 1S/C21H23F3N2O4/c1-29-19(27)18-16(13-4-7-15(8-5-13)30-21(22,23)24)12-14-6-9-17(18)26(14)20(28)25-10-2-3-11-25/h4-5,7-8,14,17H,2-3,6,9-12H2,1H3/t14-,17+/m0/s1
InChiKey: TYDKKJJXGDGDJH-WMLDXEAASA-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	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0038	0.0454	0.0142
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.086	0.1012
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3	0.005	0.0672	0.0229
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0074	0.1114	0.1244
Plasmodium falciparum	stearoyl-CoA desaturase	0.0189	0.3212	0.299
Toxoplasma gondii	short chain dehydrogenase family protein, putative	0.0038	0.0454	0.0142
Trypanosoma brucei	beta-ketoacyl-ACP reductase	0.0038	0.0454	0.0361
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.002	0.0117	0.0155
Echinococcus granulosus	Immunoglobulin	0.002	0.0117	0.0121
Toxoplasma gondii	3-ketoacyl-(acyl-carrier-protein) reductase	0.0038	0.0454	0.0142
Mycobacterium ulcerans	hypothetical protein	0.005	0.0672	0.0229
Loa Loa (eye worm)	hypothetical protein	0.002	0.0117	0.0128
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1157	0.1536
Leishmania major	stearic acid desaturase, putative	0.0239	0.4124	1
Schistosoma mansoni	serine/threonine protein kinase	0.0426	0.7536	1
Trypanosoma cruzi	fatty acid desaturase, putative	0.0239	0.4124	1
Leishmania major	3-oxoacyl-ACP reductase, putative	0.0038	0.0454	0.0361
Onchocerca volvulus		0.0239	0.4124	0.7779
Brugia malayi	Immunoglobulin I-set domain containing protein	0.002	0.0117	0.0012
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0561	1	1
Echinococcus granulosus	tar DNA binding protein	0.0076	0.1157	0.1293
Schistosoma mansoni	hypothetical protein	0.0074	0.1114	0.1479
Leishmania major	delta-4 fatty acid desaturase	0.005	0.0672	0.0935
Loa Loa (eye worm)	hypothetical protein	0.002	0.0117	0.0128
Schistosoma mansoni	hypothetical protein	0.0014	0.001	0.0013
Echinococcus granulosus	serine:threonine protein kinase NLK	0.0077	0.1167	0.1304
Echinococcus granulosus	mitogen activated protein kinase 15	0.0077	0.1167	0.1304
Loa Loa (eye worm)	hypothetical protein	0.002	0.0117	0.0128
Echinococcus granulosus	cyclin dependent kinase 9	0.0426	0.7536	0.8475
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0038	0.0454	0.0361
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.002	0.0117	0.0121
Echinococcus granulosus	3 oxoacyl acyl carrier protein reductase	0.0038	0.0454	0.05
Echinococcus granulosus	twitchin	0.0027	0.0261	0.0283
Echinococcus multilocularis	cyclin dependent kinase 9	0.0426	0.7536	0.8475
Brugia malayi	hypothetical protein	0.003	0.0316	0.028
Plasmodium falciparum	3-oxoacyl-[acyl-carrier-protein] reductase	0.0038	0.0454	0.0142
Echinococcus multilocularis	Immunoglobulin	0.002	0.0117	0.0121
Plasmodium falciparum	MO15-related protein kinase	0.0077	0.1167	0.0879
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1157	0.1536
Loa Loa (eye worm)	hypothetical protein	0.003	0.0316	0.0394
Trypanosoma brucei	pteridine reductase 1	0.0038	0.0454	0.0361
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0038	0.0454	0.0361
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.1157	0.1293
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0561	1	1
Schistosoma mansoni	fatty acid desaturase	0.005	0.0672	0.0892
Echinococcus granulosus	roundabout 2	0.0031	0.0324	0.0354
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.086	0.1012
Loa Loa (eye worm)	fatty acid desaturase	0.005	0.0672	0.0867
Echinococcus multilocularis	Cell division cycle 2 protein kinase	0.0077	0.1167	0.1304
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0074	0.1114	0.1244
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.2393	0.3158
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0561	1	1
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0317	0.5554	0.7363
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.005	0.0672	0.0935
Entamoeba histolytica	protein kinase domain containing protein	0.0426	0.7536	1
Plasmodium vivax	stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative	0.0189	0.3212	0.299
Entamoeba histolytica	cell division protein kinase 2, putative	0.0077	0.1167	0.1008
Loa Loa (eye worm)	hypothetical protein	0.002	0.0117	0.0128
Plasmodium vivax	3-oxoacyl-[acyl-carrier-protein] reductase, putative	0.0038	0.0454	0.0142
Mycobacterium ulcerans	electron transfer protein FdxB	0.005	0.0672	0.0229
Schistosoma mansoni	hypothetical protein	0.0019	0.0108	0.0144
Trypanosoma cruzi	fatty acid desaturase, putative	0.0189	0.3212	0.7605
Trypanosoma cruzi	delta-4 fatty acid desaturase, putative	0.005	0.0672	0.0935
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0512	0.0654
Toxoplasma gondii	sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein	0.005	0.0672	0.0368
Brugia malayi	Fatty acid desaturase family protein	0.005	0.0672	0.0759
Brugia malayi	Delta5 fatty acid desaturase	0.005	0.0672	0.0759
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.0077	0.1167	0.2235
Echinococcus multilocularis	hypothetical protein	0.0074	0.1114	0.1244
Loa Loa (eye worm)	CMGC/CDK/CRK7 protein kinase	0.0077	0.1167	0.1526
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0074	0.1114	0.1244
Brugia malayi	hypothetical protein	0.002	0.0117	0.0012
Trypanosoma cruzi	delta-4 fatty acid desaturase, putative	0.005	0.0672	0.0935
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0038	0.0454	0.0465
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0038	0.0454	0.0361
Mycobacterium ulcerans	transmembrane alkane 1-monooxygenase AlkB	0.005	0.0672	0.0229
Schistosoma mansoni	hypothetical protein	0.0019	0.0108	0.0144
Trypanosoma brucei	protein kinase, putative	0.0077	0.1167	0.2235
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0077	0.1167	0.2235
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.1157	0.1513
Trypanosoma brucei	delta-6 fatty acid desaturase, putative	0.005	0.0672	0.0935
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3_2	0.005	0.0672	0.0229
Trypanosoma brucei	sphingolipid delta 4 desaturase, putative	0.005	0.0672	0.0935
Onchocerca volvulus		0.005	0.0672	0.0463
Schistosoma mansoni	cell adhesion molecule	0.0026	0.0233	0.0309
Echinococcus multilocularis	neuroglian	0.0025	0.0208	0.0223
Trypanosoma brucei	fatty acid desaturase, putative	0.0239	0.4124	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.1157	0.1513
Brugia malayi	hypothetical protein	0.0074	0.1114	0.1355
Trypanosoma cruzi	fatty acid desaturase, putative	0.0189	0.3212	0.7605
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0324	0.0404
Echinococcus multilocularis	Peptidase M, neutral zinc metallopeptidases, zinc binding site	0.005	0.0672	0.0746
Trypanosoma brucei	delta-4 fatty acid desaturase	0.005	0.0672	0.0935
Loa Loa (eye worm)	fatty acid desaturase	0.005	0.0672	0.0867
Loa Loa (eye worm)	FAT-3 protein	0.005	0.0672	0.0867
Giardia lamblia	Kinase, CAMK CAMKL	0.0077	0.1167	0.5
Echinococcus multilocularis	Immunoglobulin	0.002	0.0117	0.0121
Trypanosoma cruzi	cytochrome b5-dependent oleate desaturase	0.005	0.0672	0.0935
Leishmania major	delta-6 fatty acid desaturase	0.005	0.0672	0.0935
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0317	0.5554	0.7332
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.2393	0.3158
Brugia malayi	Fatty acid desaturase family protein	0.005	0.0672	0.0759
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0561	1	1
Trypanosoma cruzi	fatty acid desaturase, putative	0.005	0.0672	0.0935
Loa Loa (eye worm)	hypothetical protein	0.002	0.0117	0.0128
Onchocerca volvulus	Tyrosine kinase homolog	0.0296	0.5172	1
Schistosoma mansoni	vesicular amine transporter	0.002	0.0117	0.0155
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.005	0.0672	0.0935
Echinococcus multilocularis	Fatty acid desaturase, type 1	0.005	0.0672	0.0746
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.005	0.0672	0.0935
Brugia malayi	acyl-CoA desaturase	0.0189	0.3212	0.4179
Trypanosoma brucei	oxidoreductase-like protein	0.0038	0.0454	0.0361
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0233	0.0283
Schistosoma mansoni	protein kinase	0.0077	0.1167	0.1549
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0108	0.0111
Loa Loa (eye worm)	CMGC/CDK/CDK9 protein kinase	0.0426	0.7536	1
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0026	0.0233	0.0252
Mycobacterium tuberculosis	Probable conserved membrane protein	0.005	0.0672	0.0229
Trypanosoma cruzi	fatty acid desaturase, putative	0.005	0.0672	0.0935
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	0.0077	0.1167	0.0879
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0038	0.0454	0.0361
Trypanosoma brucei	Mitogen-activated protein kinase 10, putative	0.0077	0.1167	0.2235
Echinococcus granulosus	defective proboscis extension response	0.002	0.0117	0.0121
Schistosoma mansoni	hypothetical protein	0.0019	0.0108	0.0144
Leishmania major	delta-5 fatty acid desaturase	0.005	0.0672	0.0935
Brugia malayi	GSG2	0.0074	0.1114	0.1355
Brugia malayi	TAR-binding protein	0.0076	0.1157	0.1413
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0038	0.0454	0.0577
Schistosoma mansoni	hypothetical protein	0.0019	0.0108	0.0144
Brugia malayi	cyclin-dependent kinase 9	0.0426	0.7536	1
Onchocerca volvulus		0.029	0.5049	0.9738
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0561	1	1
Brugia malayi	Protein kinase domain containing protein	0.0077	0.1167	0.1426
Giardia lamblia	Kinase, CAMK CAMKL	0.0077	0.1167	0.5
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0074	0.1114	0.1244
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0108	0.0111
Echinococcus multilocularis	3 oxoacyl acyl carrier protein reductase	0.0038	0.0454	0.05
Schistosoma mansoni	3-oxoacyl-[ACP] reductase	0.0038	0.0454	0.0602
Leishmania major	mitogen-activated protein kinase, putative,map kinase-like protein	0.0077	0.1167	0.2235
Trichomonas vaginalis	hypothetical protein	0.0561	1	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0108	0.0111
Brugia malayi	hypothetical protein	0.002	0.0119	0.0015
Schistosoma mansoni	kinase	0.0426	0.7536	1
Mycobacterium tuberculosis	Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f	0.005	0.0672	0.0229
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0038	0.0454	0.0361
Loa Loa (eye worm)	hypothetical protein	0.0258	0.4479	0.5933
Leishmania major	fatty acid desaturase, putative	0.005	0.0672	0.0935
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0074	0.1114	0.1244
Mycobacterium ulcerans	hypothetical protein	0.005	0.0672	0.0229
Schistosoma mansoni	nephrin	0.0025	0.0208	0.0276
Loa Loa (eye worm)	RNA binding protein	0.0076	0.1157	0.1513
Echinococcus granulosus	cyclin dependent kinase 9	0.05	0.889	1
Schistosoma mansoni	serine/threonine kinase	0.0077	0.1167	0.1549
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0077	0.1167	0.2235
Brugia malayi	RNA binding protein	0.0076	0.1157	0.1413
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0108	0.0111
Leishmania major	fatty-acid desaturase, putative	0.0239	0.4124	1
Onchocerca volvulus		0.0239	0.4124	0.7779
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0038	0.0454	0.0465
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0108	0.0117
Leishmania major	fatty acid desaturase, putative	0.005	0.0672	0.0935
Entamoeba histolytica	protein kinase domain containing protein	0.0077	0.1167	0.1008
Echinococcus granulosus	GPCR family 2	0.0019	0.0108	0.0111
Leishmania major	oxidoreductase-like protein	0.0038	0.0454	0.0361
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0077	0.1167	0.1526
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.002	0.0117	0.0155
Echinococcus granulosus	Cell division cycle 2 protein kinase	0.0077	0.1167	0.1304
Echinococcus granulosus	Pfam-B_8186 domain containing protein	0.0074	0.1114	0.1244
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0561	1	1
Loa Loa (eye worm)	oxidoreductase	0.0038	0.0454	0.0577
Trypanosoma cruzi	sphingolipid delta 4 desaturase, putative	0.005	0.0672	0.0935
Loa Loa (eye worm)	retinol dehydrogenase 12	0.0038	0.0454	0.0577
Loa Loa (eye worm)	acyl-CoA desaturase	0.0189	0.3212	0.4247
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0512	0.0544
Brugia malayi	Fibronectin type III domain containing protein	0.002	0.0117	0.0012
Echinococcus granulosus	neuroglian	0.0025	0.0208	0.0223
Loa Loa (eye worm)	hypothetical protein	0.006	0.086	0.1117
Schistosoma mansoni	serine/threonine protein kinase	0.0077	0.1167	0.1549
Loa Loa (eye worm)	haspin protein kinase	0.0077	0.1167	0.1526
Mycobacterium ulcerans	linoleoyl-CoA desaturase, DesA3	0.005	0.0672	0.0229
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1157	0.1536
Schistosoma mansoni	hypothetical protein	0.0074	0.1114	0.1479
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.1157	0.1413
Brugia malayi	cyclin-dependent kinase 7 homolog	0.0077	0.1167	0.1426
Echinococcus multilocularis	cyclin dependent kinase 9	0.05	0.889	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0108	0.0111
Plasmodium vivax	serine/threonine protein kinase KIN, putative	0.0077	0.1167	0.0879
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0561	1	1
Loa Loa (eye worm)	haspin protein kinase	0.0074	0.1114	0.1456
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.086	0.1117
Brugia malayi	MH2 domain containing protein	0.0144	0.2393	0.3077
Echinococcus granulosus	Fatty acid desaturase type 1	0.005	0.0672	0.0746
Trypanosoma brucei	cytochrome b5-dependent oleate desaturase	0.005	0.0672	0.0935
Brugia malayi	Cell division protein kinase 2	0.0077	0.1167	0.1426
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1157	0.1536
Loa Loa (eye worm)	hypothetical protein	0.002	0.0117	0.0128
Giardia lamblia	Kinase, CAMK CAMKL	0.0077	0.1167	0.5
Echinococcus multilocularis	serine:threonine protein kinase NLK	0.0077	0.1167	0.1304
Echinococcus multilocularis	roundabout 2	0.0031	0.0324	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0454	0.0577
Echinococcus granulosus	Sphingolipid delta4 desaturase DES1	0.005	0.0672	0.0746
Entamoeba histolytica	hypothetical protein	0.0074	0.1114	0.0933
Leishmania major	delta-12 fatty acid desaturase	0.005	0.0672	0.0935
Schistosoma mansoni	hypothetical protein	0.0041	0.0512	0.0679
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1157	0.1536
Mycobacterium tuberculosis	Possible electron transfer protein FdxB	0.005	0.0672	0.0229
Leishmania major	fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative	0.005	0.0672	0.0935
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0324	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0108	0.0117
Loa Loa (eye worm)	hypothetical protein	0.005	0.0672	0.0867
Leishmania major	serine/threonine kinase-like protein, putative	0.0077	0.1167	0.2235
Loa Loa (eye worm)	haspin protein kinase	0.0074	0.1114	0.1456
Leishmania major	pteridine reductase 1	0.0038	0.0454	0.0361
Schistosoma mansoni	dihydropteridine reductase	0.0038	0.0454	0.0602
Echinococcus multilocularis	Peptidase M, neutral zinc metallopeptidases, zinc binding site	0.005	0.0672	0.0746

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	4.6535 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)	10 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	14.7157 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)	19.9526 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	23.0999 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	23.1093 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	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: CHEMBL1453658

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1323279