TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 437.488 | Formula: C24H27N3O5
H donors: 1 H acceptors: 4 LogP: 1.92 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1cccc(c1)C(=O)C1=C(O)C(=O)N(C1c1cccnc1)CCN1CCOCC1
InChi: 1S/C24H27N3O5/c1-2-32-19-7-3-5-17(15-19)22(28)20-21(18-6-4-8-25-16-18)27(24(30)23(20)29)10-9-26-11-13-31-14-12-26/h3-8,15-16,21,29H,2,9-14H2,1H3
InChiKey: XNWSRKMHOFTJDY-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	mitogen-activated protein kinase 1	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed) iota	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)	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
Trypanosoma cruzi	mitogen activated protein kinase 2, 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
Leishmania braziliensis	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase	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
Giardia lamblia	Kinase, CMGC MAPK	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
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Trichomonas vaginalis	CMGC family protein kinase	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
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	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
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Candida albicans	Serine/threonine protein kinase of MAP kinase family	Get druggable targets OG5_126781	All targets in OG5_126781
Cryptosporidium parvum	MAPK, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	mitogen activated protein kinase 3	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Leishmania donovani	mitogen-activated protein kinase 4	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
Trypanosoma congolense	tyrosine protein 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
Candida albicans	MAP kinase-like orf	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
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Candida albicans	MAP kinase-like orf	Get druggable targets OG5_126781	All targets in OG5_126781
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
Schistosoma japonicum	Mitogen-activated protein kinase 3, putative	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
Brugia malayi	MAP kinase sur-1	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
Trichomonas vaginalis	CMGC family protein kinase	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
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 infantum	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	Get druggable targets OG5_126781	All targets in OG5_126781
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	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
Schistosoma japonicum	ko:K04371 extracellular signal-regulated kinase 1/2, putative	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus multilocularis	mitogen activated protein kinase 3	Get druggable targets OG5_126781	All targets in OG5_126781
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Trypanosoma cruzi	mitogen activated protein kinase 4, 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
Cryptosporidium hominis	MAPK	Get druggable targets OG5_126781	All targets in OG5_126781
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
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
Echinococcus granulosus	sodium:myo inositol cotransporter	0.0038	0.0332	0.0824
Brugia malayi	MH2 domain containing protein	0.0124	0.1365	0.3387
Trypanosoma brucei	protein kinase, putative	0.0062	0.0616	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0071	0.0176
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0109	0.027
Schistosoma mansoni	ap endonuclease	0.0019	0.0109	0.027
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0049	0.0469	0.1165
Echinococcus granulosus	mitogen activated protein kinase 3	0.0062	0.0616	0.1529
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0552	0.137
Echinococcus granulosus	SAM and MBT domain containing protein	0.0049	0.0469	0.1165
Schistosoma mansoni	ap endonuclease	0.0019	0.0109	0.027
Trichomonas vaginalis	DNA polymerase eta, putative	0.0023	0.0155	0.0177
Schistosoma mansoni	sex comb on midleg homolog	0.0049	0.0469	0.1165
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0155	0.0385
Brugia malayi	GH02984p	0.0344	0.4029	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0305	0.0758
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0063	0.0637	0.158
Schistosoma mansoni	zinc finger protein	0.0021	0.0124	0.0308
Loa Loa (eye worm)	hypothetical protein	0.0088	0.093	0.2309
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0023	0.0155	0.1566
Echinococcus multilocularis	polycomb protein SCMH1	0.0049	0.0469	0.0469
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0048	0.0451	0.112
Schistosoma mansoni	sex comb on midleg homolog	0.0049	0.0469	0.1165
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0305	0.5
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.0162	0.0162
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0109	0.0719
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0305	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.054	0.1341
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0305	0.4319
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0109	0.0747
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0305	0.078
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0071	0.0176
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0305	0.0758
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0056	0.0552	0.0552
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0023	0.0155	0.0385
Brugia malayi	beta-lactamase	0.0036	0.0305	0.0758
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0305	0.0752
Echinococcus granulosus	histone lysine methyltransferase setb	0.0048	0.0451	0.112
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0229	0.2632	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0233	0.0233
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0023	0.0155	0.0184
Mycobacterium ulcerans	lipase LipD	0.0036	0.0305	1
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0049	0.0469	0.0469
Trypanosoma brucei	ISWI complex protein	0.0016	0.0069	0.0029
Echinococcus multilocularis	mitogen activated protein kinase	0.0062	0.0616	0.0616
Schistosoma mansoni	hypothetical protein	0.0016	0.0071	0.0176
Echinococcus granulosus	geminin	0.0175	0.199	0.4939
Brugia malayi	photoreceptor-specific nuclear receptor	0.0255	0.2948	0.7317
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0023	0.0155	0.0184
Onchocerca volvulus		0.0036	0.0305	0.1121
Schistosoma mansoni	zinc finger protein	0.0016	0.0069	0.0172
Echinococcus granulosus	mitogen activated protein kinase	0.0062	0.0616	0.1529
Onchocerca volvulus		0.0036	0.0305	0.1121
Schistosoma mansoni	hypothetical protein	0.0022	0.0137	0.0341
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0496	0.1232
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0305	0.078
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0155	0.1566
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0062	0.0616	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.054	0.054
Loa Loa (eye worm)	hypothetical protein	0.0236	0.2716	0.6741
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0233	0.0579
Toxoplasma gondii	ABC1 family protein	0.0036	0.0305	0.3879
Brugia malayi	Muscleblind-like protein	0.0153	0.1714	0.4254
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0071	0.0071
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0062	0.0616	0.1529
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0023	0.0155	0.0385
Echinococcus multilocularis	dna polymerase eta	0.0023	0.0155	0.0155
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0109	0.5
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0062	0.0616	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0038	0.0333	0.0827
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0109	0.0719
Schistosoma mansoni	inositol transporter	0.0038	0.0332	0.0824
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0305	1
Trichomonas vaginalis	esterase, putative	0.0036	0.0305	0.0752
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.054	0.1341
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0056	0.0552	0.137
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0155	0.1591
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0018	0.0092	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0153	0.1714	0.4254
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0109	0.5
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0233	0.2455
Onchocerca volvulus		0.003	0.0233	0.0856
Echinococcus multilocularis	sodium:glucose cotransporter 2	0.0038	0.0332	0.0332
Brugia malayi	hypothetical protein	0.0088	0.093	0.2309
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0305	1
Schistosoma mansoni	hypothetical protein	0.0011	0.001	0.0025
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0305	0.0758
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0394	0.0979
Plasmodium vivax	SET domain protein, putative	0.003	0.0233	0.6328
Loa Loa (eye worm)	PHD-finger family protein	0.0022	0.0137	0.0341
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0305	0.0758
Giardia lamblia	DINP protein human, muc B family	0.0023	0.0155	0.0912
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0155	0.0385
Echinococcus multilocularis	high affinity choline transporter 1	0.0344	0.4029	0.4029
Loa Loa (eye worm)	bromodomain containing protein	0.0019	0.01	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0332	0.0824
Echinococcus granulosus	dna polymerase eta	0.0023	0.0155	0.0385
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0198	0.2268	0.2268
Loa Loa (eye worm)	transcription factor SMAD2	0.0124	0.1365	0.3387
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0305	0.0752
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0038	0.0333	0.0333
Brugia malayi	Bromodomain containing protein	0.0041	0.0363	0.0902
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0177	1
Echinococcus multilocularis	geminin	0.0175	0.199	0.199
Trypanosoma brucei	unspecified product	0.0023	0.0155	0.1591
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0155	0.1566
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0071	0.0176
Onchocerca volvulus		0.0048	0.0454	0.1664
Brugia malayi	mbt repeat family protein	0.0049	0.0469	0.1165
Echinococcus granulosus	sodium:glucose cotransporter	0.0038	0.0332	0.0824
Schistosoma mansoni	hypothetical protein	0.0016	0.0069	0.0172
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0305	0.0758
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0305	0.4336
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0109	0.027
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0155	0.1591
Schistosoma mansoni	hypothetical protein	0.0175	0.199	0.4939
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0305	0.078
Loa Loa (eye worm)	hypothetical protein	0.0153	0.1714	0.4254
Echinococcus granulosus	survival motor neuron protein 1	0.0236	0.2716	0.6741
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0305	0.078
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0177	0.1975
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.054	0.1341
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0177	0.1353
Brugia malayi	hypothetical protein	0.0236	0.2716	0.6741
Brugia malayi	MAP kinase sur-1	0.0062	0.0616	0.1529
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.0162	0.0402
Schistosoma mansoni	hypothetical protein	0.0304	0.3542	0.8792
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0155	0.1591
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.054	0.1341
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0177	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0305	0.0758
Brugia malayi	PHD-finger family protein	0.0026	0.0192	0.0477
Schistosoma mansoni	hypothetical protein	0.0035	0.0299	0.0743
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0011	0.001	0.0025
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0299	0.0743
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0305	0.078
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0469	0.1165
Loa Loa (eye worm)	hypothetical protein	0.0344	0.4029	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0305	0.078
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0305	0.0758
Loa Loa (eye worm)	MBCTL1	0.0056	0.0552	0.137
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0299	0.0743
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0305	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0364	0.0904
Leishmania major	DNA polymerase kappa, putative	0.0023	0.0155	0.1566
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0155	0.1591
Loa Loa (eye worm)	hypothetical protein	0.0088	0.093	0.2309
Schistosoma mansoni	eyes absent homolog	0.0088	0.093	0.2309
Echinococcus multilocularis	sodium coupled monocarboxylate transporter 1	0.0038	0.0332	0.0332
Schistosoma mansoni	hypothetical protein	0.0016	0.0071	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0496	0.1232
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0496	0.1232
Brugia malayi	hypothetical protein	0.0016	0.007	0.0173
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0062	0.0616	0.0616
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0496	0.1232
Echinococcus multilocularis	sodium:myo inositol cotransporter	0.0038	0.0332	0.0332
Schistosoma mansoni	hypothetical protein	0.0016	0.0071	0.0176
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0305	0.0752
Toxoplasma gondii	transporter, solute:sodium symporter (SSS) family protein	0.0038	0.0332	0.4403
Echinococcus multilocularis	muscleblind protein 1	0.0153	0.1714	0.1714
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0305	0.078
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0305	0.5
Brugia malayi	mbt repeat family protein	0.0049	0.0469	0.1165
Loa Loa (eye worm)	hypothetical protein	0.0255	0.2948	0.7317
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0023	0.0155	0.0155
Brugia malayi	Pre-SET motif family protein	0.003	0.0233	0.0579
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0305	0.0305
Echinococcus granulosus	GPCR family 2	0.0016	0.0071	0.0176
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0177	0.1975
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0056	0.0552	0.137
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.0616	0.1529
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0155	0.1591
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0454	0.1126
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.054	0.1341
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0155	0.1591
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0023	0.0155	0.0177
Schistosoma mansoni	hypothetical protein	0.0016	0.0071	0.0176
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0018	0.0092	0.0092
Echinococcus multilocularis	survival motor neuron protein 1	0.0236	0.2716	0.2716
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0616	0.1939
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0011	0.001	0.001
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.054	0.1341
Onchocerca volvulus		0.0038	0.0332	0.1218
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0062	0.0616	1
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0305	1
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0062	0.0616	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0155	0.1566
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0454	0.1126
Echinococcus granulosus	sodium coupled monocarboxylate transporter 1	0.0038	0.0332	0.0824
Schistosoma mansoni	DNA polymerase eta	0.0023	0.0155	0.0385
Schistosoma mansoni	hypothetical protein	0.0048	0.0454	0.1126
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0305	0.0752
Echinococcus granulosus	zinc finger protein	0.0021	0.0124	0.0308
Brugia malayi	Sodium:solute symporter family protein	0.0038	0.0332	0.0824
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0049	0.0469	0.1722
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0071	0.0176
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.022	0.0546
Echinococcus multilocularis	dna polymerase kappa	0.0023	0.0155	0.0155
Onchocerca volvulus		0.0036	0.0305	0.1121
Giardia lamblia	Kinase, CMGC MAPK	0.0062	0.0616	1
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0056	0.0552	0.0552
Brugia malayi	Pre-SET motif family protein	0.0208	0.238	0.5906
Echinococcus granulosus	dna polymerase kappa	0.0023	0.0155	0.0385
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.054	0.054
Leishmania major	DNA polymerase eta, putative	0.0023	0.0155	0.1566
Schistosoma mansoni	high-affinity choline transporter	0.0344	0.4029	1
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0062	0.0616	1
Onchocerca volvulus		0.0049	0.0469	0.1722
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0155	0.2352
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0419	0.104
Schistosoma mansoni	hypothetical protein	0.0175	0.199	0.4939
Echinococcus multilocularis	solute carrier family 5	0.0038	0.0332	0.0332
Trichomonas vaginalis	set domain proteins, putative	0.0236	0.2726	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.0162	0.0402
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0305	0.0758
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0056	0.0552	0.137
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0778	0.193
Echinococcus granulosus	muscleblind protein	0.0153	0.1714	0.4254
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0155	0.1591
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0071	0.0071
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0109	0.0719
Leishmania major	hypothetical protein, conserved	0.0036	0.0305	0.4319
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0155	0.1591
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0155	0.1566
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0023	0.0155	0.0385
Echinococcus granulosus	solute carrier family 5	0.0038	0.0332	0.0824
Brugia malayi	beta-lactamase family protein	0.0036	0.0305	0.0758
Brugia malayi	hypothetical protein	0.0025	0.0177	0.044
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0305	0.0758
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0023	0.0155	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0305	0.0758
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0062	0.0616	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0155	0.1591
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.054	0.1341
Echinococcus granulosus	polycomb protein SCMH1	0.0049	0.0469	0.1165
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0048	0.0451	0.112
Trypanosoma cruzi	DNA polymerase eta, putative	0.0023	0.0155	0.1566
Schistosoma mansoni	inositol transporter	0.0038	0.0332	0.0824
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0616	0.1939
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0155	0.1591
Schistosoma mansoni	sodium/solute symporter	0.0038	0.0332	0.0824
Echinococcus granulosus	sodium:glucose cotransporter 2	0.0038	0.0332	0.0824
Brugia malayi	Bromodomain containing protein	0.0079	0.0832	0.2066
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0155	0.1591
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0305	0.078
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0233	0.0579
Schistosoma mansoni	bromodomain containing protein	0.0067	0.0682	0.1694
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0155	0.1591
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0071	0.0071
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0109	0.0109
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0109	0.027
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0092	0.0228
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0305	0.0758
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0177	0.3487
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0177	0.1998
Loa Loa (eye worm)	MH2 domain-containing protein	0.0124	0.1365	0.3387
Leishmania major	hypothetical protein, conserved	0.0025	0.0177	0.1975
Echinococcus multilocularis	muscleblind protein	0.0153	0.1714	0.1714
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0155	0.1591
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0048	0.0451	0.0451
Brugia malayi	beta-lactamase family protein	0.0036	0.0305	0.0758
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0155	0.0385
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0062	0.0616	1
Echinococcus multilocularis	zinc finger protein	0.0021	0.0124	0.0124
Loa Loa (eye worm)	mbt repeat family protein	0.0049	0.0469	0.1165
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0063	0.0637	0.0637
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0208	0.238	0.5906
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0305	0.0752
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0071	0.0176
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0071	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0451	0.112
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0062	0.0616	1
Echinococcus granulosus	histone acetyltransferase MYST2	0.0056	0.0552	0.137
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0305	0.078
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0023	0.0155	0.0385
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0155	0.2352
Echinococcus granulosus	high affinity choline transporter 1	0.0344	0.4029	1
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0198	0.2268	0.5631
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0305	0.078
Onchocerca volvulus		0.0236	0.2726	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0177	0.044
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0616	0.1939
Trypanosoma brucei	DNA polymerase eta, putative	0.0023	0.0155	0.1591
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0092	0.0228
Trichomonas vaginalis	CMGC family protein kinase	0.0062	0.0616	0.1939
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0305	0.4319
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0305	0.0758

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.0079 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	10 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)	16.5113 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)	35.4813 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 (functional)	= 39.8107 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)	89.1251 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

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: CHEMBL1419120

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1303399