TDR Targets

Basic information

Technical information

TDR Targets ID: 768443
Name: methyl 1,2-dimethyl-5-oxo-4-(thiophen-2-ylmet hylidene)pyrrole-3-carboxylate
MW: 263.312 | Formula: C13H13NO3S
H donors: 0 H acceptors: 2 LogP: 1.61 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cccs1)C
InChi: 1S/C13H13NO3S/c1-8-11(13(16)17-3)10(12(15)14(8)2)7-9-5-4-6-18-9/h4-7H,1-3H3/b10-7-
InChiKey: QMPKWVQYWBKTCB-YFHOEESVSA-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

methyl 1,2-dimethyl-5-oxo-4-(2-thienylmethylene)pyrrole-3-carboxylate
1,2-dimethyl-5-oxo-4-(2-thienylmethylene)-3-pyrrolecarboxylic acid methyl ester
5-keto-1,2-dimethyl-4-(2-thienylmethylene)-2-pyrroline-3-carboxylic acid methyl ester
STK159939
BIM-0027799.P001
1,2-Dimethyl-5-oxo-4-thiophen-2-ylmethylene-4,5-dihydro-1H-pyrrole-3-carboxylic acid methyl ester
MLS000525684
SMR000116158
1,2-Dimethyl-5-oxo-4-thiophen-2-ylmethylene-4,5-dihydro-1H-pyrrole-3-carboxylic
BAS 00881064
ZINC00112580
CBMicro_027628

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	muscleblind-like splicing regulator 1	Starlite/ChEMBL	No references
Homo sapiens	mitogen-activated protein kinase 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	mitogen activated protein kinase 3	Get druggable targets OG5_126781	All targets in OG5_126781
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Cryptosporidium hominis	MAPK	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma japonicum	ko:K04371 extracellular signal-regulated kinase 1/2, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Giardia lamblia	Kinase, CMGC MAPK	Get druggable targets OG5_126781	All targets in OG5_126781
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma brucei gambiense	mitogen-activated protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus granulosus	mitogen activated protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania mexicana	mitogen-activated protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania donovani	mitogen activated protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	Serine/threonine protein kinase of MAP kinase family	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma congolense	tyrosine protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania infantum	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Candida albicans	Serine/threonine protein kinase of MAP kinase family	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	MAP kinase implicated in PKC1-controlled signalling pathway	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Brugia malayi	MAP kinase sur-1	Get druggable targets OG5_126781	All targets in OG5_126781
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus multilocularis	mitogen activated protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Trypanosoma brucei	protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma brucei	mitogen activated protein kinase 4, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania infantum	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	Get druggable targets OG5_126781	All targets in OG5_126781
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	MAP kinase-like orf	Get druggable targets OG5_126781	All targets in OG5_126781
Cryptosporidium parvum	MAPK, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania braziliensis	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania donovani	mitogen-activated protein kinase 4	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania mexicana	mitogen activated protein kinase, putative,map kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma japonicum	Mitogen-activated protein kinase 3, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania braziliensis	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase	Get druggable targets OG5_126781	All targets in OG5_126781
Candida albicans	MAP kinase-like orf	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma japonicum	Mitogen-activated protein kinase 3, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma brucei gambiense	protein kinase, putative,tyrosine protein kinase, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus granulosus	mitogen activated protein kinase 3	Get druggable targets OG5_126781	All targets in OG5_126781
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase 1	360 aa	361 aa	33.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0047	0.0209	0.1566
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0062	0.0312	0.2752
Onchocerca volvulus		0.0152	0.0946	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0032	0.0106	0.0241
Schistosoma mansoni	ferritin	0.0017	0.0002	0.0002
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0032	0.0106	0.0106
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0402	0.2698	0.6132
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0645	0.44	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0152	0.0946	0.0946
Schistosoma mansoni	tar DNA-binding protein	0.0645	0.44	0.44
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0122	0.0122
Loa Loa (eye worm)	PHD-finger family protein	0.0042	0.0172	0.0391
Echinococcus multilocularis	FTZ F1 alpha	0.0032	0.0106	0.0106
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0045	0.0199	0.0199
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0032	0.0106	0.0106
Echinococcus multilocularis	ferritin	0.0017	0.0002	0.0002
Trypanosoma cruzi	hypothetical protein, conserved	0.0152	0.0946	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.0725	0.1649
Trichomonas vaginalis	penicillin-binding protein, putative	0.0152	0.0946	1
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0027	0.0072	0.0588
Echinococcus granulosus	tar DNA binding protein	0.0645	0.44	0.44
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0077	0.079
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0147	0.0147
Trichomonas vaginalis	penicillin-binding protein, putative	0.0152	0.0946	1
Brugia malayi	Bromodomain containing protein	0.0151	0.0939	0.2134
Brugia malayi	steroid hormone receptor	0.0032	0.0106	0.0241
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0032	0.0106	0.0106
Brugia malayi	beta-lactamase family protein	0.0152	0.0946	0.215
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0047	0.0209	0.2062
Schistosoma mansoni	ferritin light chain	0.0017	0.0002	0.0002
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.0725	0.1649
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0032	0.0106	0.0106
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0034	0.0122	0.0122
Schistosoma mansoni	thyroid hormone receptor	0.028	0.184	0.184
Loa Loa (eye worm)	hypothetical protein	0.018	0.1145	0.2603
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0122	0.0122
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0125	0.1297
Schistosoma mansoni	hypothetical protein	0.0038	0.0147	0.0147
Trypanosoma cruzi	ISWI complex protein	0.0031	0.0097	0.0287
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0032	0.0106	0.0241
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0032	0.0106	0.0241
Schistosoma mansoni	zinc finger protein	0.0031	0.0097	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0106	0.0241
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0045	0.0199	0.0199
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0037	0.0142	0.0802
Loa Loa (eye worm)	hypothetical protein	0.0152	0.0946	0.215
Brugia malayi	Nuclear hormone receptor-like 1	0.0032	0.0106	0.0241
Echinococcus multilocularis	muscleblind protein 1	0.018	0.1145	0.1145
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0062	0.0312	0.2752
Schistosoma mansoni	ferritin	0.0017	0.0002	0.0002
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.0388	0.0388
Plasmodium vivax	hypothetical protein, conserved	0.0152	0.0946	1
Brugia malayi	nuclear receptor NHR-88	0.0032	0.0106	0.0241
Echinococcus granulosus	mitogen activated protein kinase	0.0062	0.0312	0.0312
Schistosoma mansoni	apoferritin-2	0.0017	0.0002	0.0002
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0127	0.0773	0.1756
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0032	0.0106	0.0106
Schistosoma mansoni	flap endonuclease-1	0.0025	0.0054	0.0054
Mycobacterium tuberculosis	Probable hydrolase	0.0152	0.0946	0.1412
Schistosoma mansoni	hypothetical protein	0.0127	0.0773	0.0773
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0106	0.0241
Mycobacterium leprae	Probable lipase LipE	0.0152	0.0946	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0225	0.051
Schistosoma mansoni	nuclear hormone receptor	0.0032	0.0106	0.0106
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.0312	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0122	0.0277
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0312	0.3285
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0047	0.0209	0.0209
Echinococcus granulosus	FTZ F1 alpha	0.0032	0.0106	0.0106
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0032	0.0106	0.0241
Schistosoma mansoni	apoferritin-2	0.0017	0.0002	0.0002
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0101	0.1044
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0032	0.0106	0.0106
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0209	0.2187
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0032	0.0106	0.0106
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0032	0.0106	0.0241
Schistosoma mansoni	thyroid hormone receptor	0.028	0.184	0.184
Echinococcus granulosus	ferritin	0.0017	0.0002	0.0002
Schistosoma mansoni	ferritin	0.0017	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0152	0.0946	0.215
Mycobacterium tuberculosis	Conserved protein	0.0152	0.0946	0.1412
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0034	0.0122	0.0122
Schistosoma mansoni	tar DNA-binding protein	0.0645	0.44	0.44
Brugia malayi	PHD-finger family protein	0.005	0.0233	0.0529
Echinococcus granulosus	tumor protein p63	0.0335	0.2226	0.2226
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0058	0.059
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0312	0.3285
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.012	0.0723	0.0723
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0032	0.0106	0.0241
Echinococcus granulosus	GPCR family 2	0.0127	0.0773	0.0773
Schistosoma mansoni	microtubule-associated protein tau	0.1444	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0032	0.0106	0.0241
Brugia malayi	beta-lactamase	0.0152	0.0946	0.215
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.0017	0.0002	0.5
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0152	0.0946	0.0946
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0032	0.0106	0.0106
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0402	0.2698	0.6132
Loa Loa (eye worm)	hypothetical protein	0.0152	0.0946	0.215
Onchocerca volvulus		0.0152	0.0946	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0125	0.1297
Brugia malayi	ecdysteroid receptor	0.0032	0.0106	0.0241
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0047	0.0209	1
Echinococcus granulosus	flap endonuclease 1	0.0027	0.0072	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0142	0.0879	0.1997
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.0388	0.0388
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0032	0.0106	0.0241
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.0225	0.0225
Echinococcus multilocularis	ecdysone induced protein 78C	0.0032	0.0106	0.0106
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0127	0.0773	0.1756
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0312	0.3285
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0032	0.0106	0.0241
Brugia malayi	MH2 domain containing protein	0.012	0.0725	0.1649
Mycobacterium leprae	conserved hypothetical protein	0.0152	0.0946	1
Loa Loa (eye worm)	beta-lactamase	0.0152	0.0946	0.215
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0147	0.0147
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0062	0.0312	0.2752
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0058	0.0587
Loa Loa (eye worm)	hypothetical protein	0.0152	0.0946	0.215
Brugia malayi	TAR-binding protein	0.0645	0.44	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0152	0.0946	0.0946
Trypanosoma brucei	ISWI complex protein	0.0031	0.0097	0.0858
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0075	0.0769
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0032	0.0106	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0106	0.0241
Schistosoma mansoni	hypothetical protein	0.0127	0.0773	0.0773
Loa Loa (eye worm)	hypothetical protein	0.0152	0.0946	0.215
Brugia malayi	photoreceptor-specific nuclear receptor	0.0032	0.0106	0.0241
Mycobacterium tuberculosis	Probable esterase LipL	0.0152	0.0946	0.1412
Mycobacterium tuberculosis	Probable lipase LipD	0.0152	0.0946	0.1412
Giardia lamblia	GTOR	0.0047	0.0209	0.5691
Brugia malayi	Flap endonuclease-1	0.0027	0.0072	0.0163
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0125	0.1297
Loa Loa (eye worm)	bromodomain containing protein	0.0036	0.013	0.0296
Echinococcus multilocularis	expressed protein	0.0017	0.0002	0.0002
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0058	0.0587
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0032	0.0106	0.0241
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0127	0.0773	0.0773
Schistosoma mansoni	tar DNA-binding protein	0.0645	0.44	0.44
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0047	0.0209	0.1566
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0047	0.0209	0.0475
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0248	0.1616	0.1616
Treponema pallidum	bacterioferrin (TpF1)	0.0017	0.0002	0.5
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0062	0.0312	0.2752
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0062	0.0312	0.071
Brugia malayi	MAP kinase sur-1	0.0062	0.0312	0.071
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0077	0.079
Mycobacterium tuberculosis	Conserved protein	0.0152	0.0946	0.1412
Leishmania major	hypothetical protein, conserved	0.0031	0.0097	0.0287
Mycobacterium ulcerans	lipase LipD	0.0152	0.0946	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0152	0.0946	0.1412
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0152	0.0946	0.1412
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0075	0.0769
Brugia malayi	Muscleblind-like protein	0.018	0.1145	0.2603
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0062	0.0312	0.2752
Loa Loa (eye worm)	hypothetical protein	0.018	0.1145	0.2603
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0032	0.0106	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0456	0.1036
Schistosoma mansoni	RAR-like nuclear receptor	0.0032	0.0106	0.0106
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0037	0.0142	0.1343
Trypanosoma cruzi	hypothetical protein, conserved	0.0152	0.0946	1
Brugia malayi	hypothetical protein	0.0038	0.0147	0.0333
Entamoeba histolytica	hypothetical protein	0.0038	0.0147	0.5452
Trypanosoma brucei	protein kinase, putative	0.0062	0.0312	0.3178
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0971	0.6683	1
Schistosoma mansoni	bromodomain containing protein	0.0127	0.0774	0.0774
Echinococcus multilocularis	zinc finger protein	0.0039	0.0157	0.0157
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0058	0.059
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0142	0.1477
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0142	0.1477
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0035	0.0125	0.0606
Onchocerca volvulus		0.0152	0.0946	1
Loa Loa (eye worm)	TAR-binding protein	0.0645	0.44	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0106	0.0241
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0209	0.2187
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0034	0.0122	0.0122
Trichomonas vaginalis	D-aminoacylase, putative	0.0152	0.0946	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0032	0.0106	0.0241
Brugia malayi	RNA recognition motif domain containing protein	0.0645	0.44	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0125	0.1297
Schistosoma mansoni	hypothetical protein	0.0042	0.0172	0.0172
Mycobacterium tuberculosis	Probable lipase LipE	0.0152	0.0946	0.1412
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0034	0.0122	0.0122
Schistosoma mansoni	hypothetical protein	0.0275	0.1807	0.1807
Schistosoma mansoni	tar DNA-binding protein	0.0645	0.44	0.44
Brugia malayi	nuclear hormone receptor	0.0032	0.0106	0.0241
Echinococcus multilocularis	thyroid hormone receptor alpha	0.028	0.184	0.184
Echinococcus granulosus	fetal alzheimer antigen falz	0.0045	0.0199	0.0199
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0047	0.0209	0.2062
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0161	0.1679
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0032	0.0106	0.0106
Trichomonas vaginalis	flap endonuclease-1, putative	0.0027	0.0072	0.0736
Echinococcus multilocularis	GPCR, family 2	0.0127	0.0773	0.0773
Brugia malayi	Bromodomain containing protein	0.0077	0.0421	0.0958
Schistosoma mansoni	hypothetical protein	0.0127	0.0773	0.0773
Loa Loa (eye worm)	flap endonuclease-1	0.0027	0.0072	0.0163
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0032	0.0106	0.0106
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0032	0.0106	0.0241
Schistosoma mansoni	ferritin light chain	0.0017	0.0002	0.0002
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0402	0.2698	0.6132
Echinococcus granulosus	histone lysine methyltransferase setb	0.0034	0.0122	0.0122
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0062	0.0312	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0483	0.1097
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0062	0.0312	0.2752
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0248	0.1616	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0402	0.2698	0.6132
Echinococcus granulosus	ecdysone induced protein 78C	0.0032	0.0106	0.0106
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0032	0.0106	0.0106
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0032	0.0106	0.0241
Echinococcus multilocularis	microtubule associated protein 2	0.1444	1	1
Echinococcus multilocularis	mitogen activated protein kinase	0.0062	0.0312	0.0312
Schistosoma mansoni	retinoic acid receptor RXR	0.0032	0.0106	0.0106
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0047	0.0209	0.0209
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0058	0.059
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0032	0.0106	0.0106
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.012	0.0723	0.0723
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0125	0.1297
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0062	0.0312	0.2752
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0058	0.0587
Echinococcus multilocularis	muscleblind protein	0.018	0.1145	0.1145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0142	0.1477
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0312	0.3285
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0142	0.1477
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0125	0.1297
Loa Loa (eye worm)	hypothetical protein	0.0275	0.1807	0.4106
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0106	0.0241
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0032	0.0106	0.0106
Trypanosoma cruzi	ISWI complex protein	0.0031	0.0097	0.0287
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0022	0.0036	0.0203
Mycobacterium ulcerans	beta-lactamase	0.0152	0.0946	1
Leishmania major	hypothetical protein, conserved	0.0152	0.0946	1
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0062	0.0312	0.3178
Entamoeba histolytica	hypothetical protein	0.0038	0.0147	0.5452
Echinococcus granulosus	expressed protein	0.0017	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0422	0.096
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0032	0.0106	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0106	0.0241
Giardia lamblia	Kinase, CMGC MAPK	0.0062	0.0312	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0152	0.0946	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0032	0.0106	0.0241
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0032	0.0106	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0152	0.0946	0.215
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0094	0.0969
Brugia malayi	latrophilin 2 splice variant baaae	0.0275	0.1807	0.4106
Entamoeba histolytica	hypothetical protein	0.0038	0.0147	0.5452
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0125	0.1297
Brugia malayi	beta-lactamase family protein	0.0152	0.0946	0.215
Echinococcus multilocularis	tar DNA binding protein	0.0645	0.44	0.44
Mycobacterium ulcerans	esterase/lipase LipP	0.0152	0.0946	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0032	0.0106	0.0106
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0047	0.0209	0.1566
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0152	0.0946	0.215
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0032	0.0106	0.0106
Toxoplasma gondii	ABC1 family protein	0.0152	0.0946	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0047	0.0209	0.0475
Echinococcus granulosus	zinc finger protein	0.0039	0.0157	0.0157
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0058	0.059
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0032	0.0106	0.0241
Echinococcus multilocularis	tumor protein p63	0.0335	0.2226	0.2226
Brugia malayi	RNA binding protein	0.0645	0.44	1
Schistosoma mansoni	hypothetical protein	0.0031	0.0097	0.0097
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0152	0.0946	0.215
Schistosoma mansoni	hypothetical protein	0.0127	0.0773	0.0773
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0077	0.079
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0147	0.0147
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0032	0.0106	0.0241
Loa Loa (eye worm)	RNA binding protein	0.0645	0.44	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0142	0.1477
Brugia malayi	Latrophilin receptor protein 2	0.0127	0.0773	0.1756
Onchocerca volvulus		0.0049	0.0225	0.1411
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0047	0.0209	0.1566
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0032	0.0106	0.0106
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0152	0.0946	1
Entamoeba histolytica	hypothetical protein	0.0038	0.0147	0.5452
Plasmodium falciparum	flap endonuclease 1	0.0027	0.0072	0.5
Schistosoma mansoni	zinc finger protein	0.0039	0.0157	0.0157
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0032	0.0106	0.0106
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0047	0.0209	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0152	0.0946	0.1412
Trypanosoma cruzi	target of rapamycin kinase 3	0.0037	0.0142	0.0802
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0034	0.0122	0.0122
Loa Loa (eye worm)	steroid hormone receptor	0.0032	0.0106	0.0241
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0209	0.2187
Mycobacterium tuberculosis	Conserved protein	0.0152	0.0946	0.1412
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0127	0.0773	0.0773
Schistosoma mansoni	ferritin	0.0017	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0127	0.0773	0.1756
Echinococcus granulosus	muscleblind protein	0.018	0.1145	0.1145
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0032	0.0106	0.0106
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0047	0.0209	0.0209
Trichomonas vaginalis	D-aminoacylase, putative	0.0152	0.0946	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0032	0.0106	0.0106
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0032	0.0106	0.0241
Schistosoma mansoni	tar DNA-binding protein	0.0645	0.44	0.44
Schistosoma mansoni	coup transcription factor	0.0032	0.0106	0.0106
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0127	0.0773	0.0773
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0127	0.0773	0.0773
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0106	0.0241
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0152	0.0946	0.0946
Mycobacterium ulcerans	hypothetical protein	0.0152	0.0946	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0106	0.0241
Trypanosoma brucei	hypothetical protein, conserved	0.0152	0.0946	1
Brugia malayi	Steroid receptor seven-up type 2	0.0032	0.0106	0.0241
Echinococcus multilocularis	flap endonuclease 1	0.0027	0.0072	0.0072
Trichomonas vaginalis	esterase, putative	0.0152	0.0946	1
Echinococcus granulosus	mitogen activated protein kinase 3	0.0062	0.0312	0.0312
Schistosoma mansoni	hypothetical protein	0.0248	0.1616	0.1616

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (binding)	4.4668 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.7157 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)	= 17.7828 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ]	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (binding)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 37.6505 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)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	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
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	= 100 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	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: CHEMBL1572812
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 768443