TDR Targets

Basic information

Technical information

TDR Targets ID: 801631
Name: 4-(3-ethoxypropylamino)-6,7-dimethoxy-1H-quin azoline-2-thione
MW: 323.411 | Formula: C15H21N3O3S
H donors: 1 H acceptors: 2 LogP: 2.86 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOCCCNc1nc(S)nc2c1cc(OC)c(c2)OC
InChi: 1S/C15H21N3O3S/c1-4-21-7-5-6-16-14-10-8-12(19-2)13(20-3)9-11(10)17-15(22)18-14/h8-9H,4-7H2,1-3H3,(H2,16,17,18,22)
InChiKey: LHQPXJJICRRINH-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

MLS000045007
4-[(3-ethoxypropyl)amino]-6,7-dimethoxyquinazoline-2(1H)-thione
EU-0092846
SMR000026611

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	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 multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs 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
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus multilocularis	guanine nucleotide binding protein G(s) 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
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
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
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
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
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0099	0.0894	0.0894
Echinococcus granulosus	pyruvate kinase	0.0033	0.0215	0.0333
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.0215	0.0462
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0048	0.0373	0.0953
Plasmodium falciparum	importin beta, putative	0.006	0.049	0.5214
Brugia malayi	Thioredoxin reductase	0.0099	0.0894	0.0931
Schistosoma mansoni	ran	0.0044	0.0327	0.0507
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0232	0.0242
Echinococcus granulosus	peregrin	0.0029	0.017	0.0263
Loa Loa (eye worm)	inositol-1	0.0077	0.0671	0.0698
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0266	0.0413
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0048	0.0373	0.0953
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0034	0.0227	0.0169
Loa Loa (eye worm)	glutaminase	0.033	0.3287	0.3422
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.0266	0.0836
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0034	0.0227	0.0169
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0035	0.0037
Schistosoma mansoni	pyruvate kinase	0.0033	0.0215	0.0333
Brugia malayi	beta-lactamase family protein	0.0038	0.0266	0.0277
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0077	0.0671	0.0634
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0077	0.0671	0.1876
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0044	0.0327	0.0327
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.0266	0.0836
Schistosoma mansoni	jumonji domain containing protein	0.0074	0.0644	0.0999
Leishmania major	importin beta-1 subunit, putative	0.0048	0.0373	0.0322
Entamoeba histolytica	hypothetical protein	0.0048	0.0373	0.5079
Schistosoma mansoni	pyruvate kinase	0.0033	0.0215	0.0333
Mycobacterium ulcerans	beta-lactamase	0.0038	0.0266	0.0622
Schistosoma mansoni	pyruvate kinase	0.0017	0.0049	0.0076
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.1365	0.1421
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.0485	0.0505
Echinococcus granulosus	inositol monophosphatase 1	0.0077	0.0671	0.104
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0445	0.0463
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0035	0.0037
Brugia malayi	jmjC domain containing protein	0.0094	0.0843	0.0878
Trichomonas vaginalis	esterase, putative	0.0038	0.0266	0.0622
Brugia malayi	follicle stimulating hormone receptor	0.0227	0.2225	0.2316
Echinococcus multilocularis	importin subunit beta 1	0.006	0.049	0.049
Brugia malayi	beta-lactamase family protein	0.0038	0.0266	0.0277
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0066	0.0066
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0384	0.0399
Schistosoma mansoni	hypothetical protein	0.0016	0.0035	0.0054
Schistosoma mansoni	hypothetical protein	0.0016	0.0035	0.0054
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0215	0.0224
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0286	0.0443
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0034	0.0227	0.2112
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0044	0.0327	0.0273
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0069	0.0587	0.2175
Toxoplasma gondii	ABC1 family protein	0.0038	0.0266	0.2572
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0215	0.0376
Loa Loa (eye worm)	hypothetical protein	0.0941	0.9606	1
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0215	0.0215
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0215	0.0376
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0077	0.0671	1
Mycobacterium ulcerans	hypothetical protein	0.0038	0.0266	0.0622
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0025	0.0134	0.0139
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0066	0.0069
Schistosoma mansoni	inositol monophosphatase	0.0077	0.0671	0.104
Echinococcus granulosus	pyruvate kinase	0.0017	0.0049	0.0076
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0035	0.0037
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0215	0.0376
Echinococcus granulosus	importin subunit beta 1	0.006	0.049	0.0759
Mycobacterium ulcerans	pyruvate kinase	0.0033	0.0215	0.0462
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0381	0.0397
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.025	0.2461	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0232	0.036
Brugia malayi	Muscleblind-like protein	0.018	0.1739	0.181
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.025	0.2461	1
Plasmodium falciparum	thioredoxin reductase	0.0099	0.0894	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0266	0.021
Trichomonas vaginalis	mercuric reductase, putative	0.0034	0.0227	0.0501
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0035	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0222	0.0231
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0035	0.0035
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0034	0.0227	0.0353
Brugia malayi	jmjC domain containing protein	0.0035	0.0232	0.0242
Plasmodium falciparum	glutathione reductase	0.0034	0.0227	0.2112
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0941	0.9606	1
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.017	0.143
Trypanosoma brucei	pyruvate kinase 1, putative	0.0033	0.0215	0.0156
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0077	0.0671	0.1876
Schistosoma mansoni	importin beta-1	0.006	0.049	0.0759
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0222	0.0231
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0266	0.0836
Trichomonas vaginalis	glutaminase, putative	0.033	0.3287	1
Schistosoma mansoni	glutaminase	0.033	0.3287	0.5099
Plasmodium falciparum	thioredoxin reductase	0.0034	0.0227	0.2112
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0266	0.0622
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0049	0.0049
Toxoplasma gondii	thioredoxin reductase	0.0099	0.0894	1
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0025	0.0134	0.0139
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.0266	0.0229
Echinococcus multilocularis	muscleblind protein 1	0.018	0.1739	0.1739
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0266	0.0277
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.0266	0.0622
Toxoplasma gondii	pyruvate kinase PyK1	0.0033	0.0215	0.1964
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0232	0.036
Loa Loa (eye worm)	hypothetical protein	0.018	0.1739	0.181
Trypanosoma brucei	trypanothione reductase	0.0099	0.0894	0.0868
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0034	0.0227	0.0501
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0044	0.0327	0.034
Loa Loa (eye worm)	hypothetical protein	0.006	0.049	0.051
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0099	0.0894	0.3457
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.0266	0.0836
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0232	0.0232
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0044	0.0327	0.329
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0286	0.0286
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0034	0.0227	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0266	0.0277
Schistosoma mansoni	ap endonuclease	0.0019	0.0066	0.0103
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0266	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0112	0.0116
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0066	0.0103
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0077	0.0671	0.0634
Giardia lamblia	PHD finger protein 15	0.0029	0.017	0.4346
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0445	0.069
Loa Loa (eye worm)	glutathione reductase	0.0099	0.0894	0.0931
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0225	0.2201	0.8916
Plasmodium vivax	importin-beta 2, putative	0.006	0.049	0.5214
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0044	0.0327	0.329
Brugia malayi	glutathione reductase	0.0099	0.0894	0.0931
Treponema pallidum	NADH oxidase	0.0034	0.0227	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0066	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0266	0.0277
Echinococcus granulosus	muscleblind protein	0.018	0.1739	0.2697
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0077	0.0671	1
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0048	0.0373	0.0322
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0215	0.0224
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0266	0.2572
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0941	0.9606	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0243	0.2382	0.9668
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0034	0.0227	0.0237
Brugia malayi	Importin beta-1 subunit	0.006	0.049	0.051
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0034	0.0227	0.2668
Trypanosoma cruzi	trypanothione reductase, putative	0.0099	0.0894	0.0868
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	0.0565	0.5717	0.5952
Loa Loa (eye worm)	hypothetical protein	0.018	0.1739	0.181
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0445	0.069
Trichomonas vaginalis	ran, putative	0.0044	0.0327	0.081
Brugia malayi	beta-lactamase	0.0038	0.0266	0.0277
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0034	0.0227	0.2112
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.025	0.2461	1
Loa Loa (eye worm)	hypothetical protein	0.0481	0.4848	0.5047
Onchocerca volvulus		0.0038	0.0266	0.0466
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0034	0.0227	0.0501
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0034	0.0227	0.2668
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0034	0.0227	0.0169
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0034	0.0227	0.0169
Schistosoma mansoni	inositol monophosphatase	0.0077	0.0671	0.104
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0266	0.021
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0034	0.0227	0.0169
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0445	0.0445
Echinococcus granulosus	pyruvate kinase	0.0017	0.0049	0.0076
Leishmania major	GTP-binding protein, putative	0.0044	0.0327	0.0273
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0266	0.021
Trichomonas vaginalis	importin beta-1, putative	0.0048	0.0373	0.0953
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.0266	0.0836
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0034	0.0227	0.0353
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0266	0.0277
Toxoplasma gondii	HEAT repeat-containing protein	0.006	0.049	0.5214
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0035	0.0054
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0044	0.0327	0.0273
Onchocerca volvulus	Alhambra homolog	0.0029	0.017	0.0297
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0044	0.0327	0.0507
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0033	0.0215	0.0224
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0035	0.0035
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0033	0.0215	0.0621
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0384	0.0399
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0266	0.0277
Mycobacterium ulcerans	lipase LipD	0.0038	0.0266	0.0622
Entamoeba histolytica	pyruvate kinase, putative	0.0023	0.0112	0.0754
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0266	0.0836
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0069	0.0587	0.1657
Trypanosoma brucei	pyruvate kinase 1	0.0033	0.0215	0.0156
Trichomonas vaginalis	inositol monophosphatase, putative	0.0077	0.0671	0.1876
Leishmania major	pyruvate kinase	0.0033	0.0215	0.0156
Schistosoma mansoni	hypothetical protein	0.0016	0.0035	0.0054
Mycobacterium tuberculosis	Probable reductase	0.0225	0.2201	0.8916
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0266	0.0622
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0034	0.0227	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0266	0.0277
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0044	0.0327	1
Echinococcus granulosus	vesicular acetylcholine transporter	0.0565	0.5717	0.8867
Echinococcus multilocularis	pyruvate kinase	0.0026	0.0143	0.0143
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0034	0.0227	0.0169
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.0215	0.0462
Loa Loa (eye worm)	thioredoxin reductase	0.0099	0.0894	0.0931
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0266	0.0622
Plasmodium vivax	glutathione reductase, putative	0.0099	0.0894	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0034	0.0227	0.2112
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0227	0.2225	0.2316
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0266	0.0277
Schistosoma mansoni	hypothetical protein	0.0636	0.6448	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0034	0.0227	0.0169
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	0.0565	0.5717	1
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0077	0.0671	0.7355
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0034	0.0227	0.0169
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0034	0.0227	0.0673
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0445	0.069
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0266	0.0266
Schistosoma mansoni	hypothetical protein	0.0034	0.0222	0.0345
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0077	0.0671	0.0634
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0266	0.0622
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.017	0.0263
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.0266	0.0836
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0445	0.069
Loa Loa (eye worm)	glutaminase 2	0.033	0.3287	0.3422
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0077	0.0671	0.0634
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0384	0.0399
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0225	0.2201	0.8844
Schistosoma mansoni	ran	0.0044	0.0327	0.0507
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0034	0.0227	1
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0266	0.0836
Leishmania major	pyruvate kinase	0.0033	0.0215	0.0156
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0215	0.0224
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0094	0.0843	0.1308
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0266	0.0413
Echinococcus granulosus	pyruvate kinase	0.0033	0.0215	0.0333
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.1365	0.1421
Loa Loa (eye worm)	pyruvate kinase-PB	0.0023	0.0112	0.0116
Plasmodium vivax	thioredoxin reductase, putative	0.0099	0.0894	1
Leishmania major	hypothetical protein, conserved	0.0038	0.0266	0.021
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0225	0.2201	0.8916
Onchocerca volvulus		0.0038	0.0266	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0384	0.0399
Brugia malayi	RNA, U transporter 1	0.0169	0.1625	0.1692
Schistosoma mansoni	vesicular acetylcholine transporter	0.0565	0.5717	0.8867
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0034	0.0227	0.0169
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.017	0.0177
Brugia malayi	Bromodomain containing protein	0.0029	0.017	0.0177
Entamoeba histolytica	Ran family GTPase	0.0044	0.0327	0.4316
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0034	0.0227	0.6418
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0941	0.9606	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.006	0.049	0.0444
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0035	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0266	0.0277
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0049	0.0049
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0094	0.0843	0.0843
Mycobacterium tuberculosis	Probable oxidoreductase	0.025	0.2461	1
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.0215	0.0156
Mycobacterium ulcerans	glutaminase	0.033	0.3287	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0035	0.0054
Echinococcus granulosus	pyruvate kinase	0.0017	0.0049	0.0076
Brugia malayi	glutaminase DH11.1	0.033	0.3287	0.3422
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0445	0.0445
Brugia malayi	PHD-finger family protein	0.0029	0.017	0.0177
Plasmodium falciparum	pyruvate kinase	0.0033	0.0215	0.1964
Echinococcus multilocularis	muscleblind protein	0.018	0.1739	0.1739
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0445	0.0463
Echinococcus granulosus	snurportin 1	0.0636	0.6448	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0445	0.069
Brugia malayi	MH2 domain containing protein	0.0144	0.1365	0.1421
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0049	0.0049
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.0215	0.0156
Leishmania major	trypanothione reductase	0.0099	0.0894	0.0868
Echinococcus multilocularis	vesicular acetylcholine transporter	0.0565	0.5717	0.5717
Plasmodium falciparum	glutathione reductase	0.0099	0.0894	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0225	0.2201	0.8916
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0066	0.0069
Schistosoma mansoni	ap endonuclease	0.0019	0.0066	0.0103
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.017	0.143
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0066	0.0619
Toxoplasma gondii	exonuclease III APE	0.0019	0.0066	0.0204
Echinococcus granulosus	thioredoxin glutathione reductase	0.0099	0.0894	0.1387
Onchocerca volvulus		0.0038	0.0266	0.0466
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0636	0.6448	0.6712
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0034	0.0227	0.0169
Echinococcus multilocularis	peregrin	0.0029	0.017	0.017
Echinococcus granulosus	GPCR family 2	0.0016	0.0035	0.0054
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0225	0.2201	0.8916
Plasmodium vivax	pyruvate kinase, putative	0.0033	0.0215	0.1964
Plasmodium falciparum	phd finger protein, putative	0.0029	0.017	0.143
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0034	0.0227	0.0169
Echinococcus multilocularis	snurportin 1	0.0636	0.6448	0.6448
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0034	0.0227	0.2112
Trichomonas vaginalis	glutathione reductase, putative	0.0034	0.0227	0.0501
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0044	0.0327	0.0273
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0033	0.0215	0.0224
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0266	0.0413
Mycobacterium leprae	Probable lipase LipE	0.0038	0.0266	0.0229
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0034	0.0227	0.0169
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.017	0.017
Schistosoma mansoni	hypothetical protein	0.0029	0.017	0.0263
Trypanosoma cruzi	trypanothione reductase, putative	0.0034	0.0227	0.0169
Leishmania major	C-8 sterol isomerase-like protein	0.0941	0.9606	1
Echinococcus multilocularis	inositol monophosphatase 1	0.0077	0.0671	0.0671
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0044	0.0327	0.329
Loa Loa (eye worm)	hypothetical protein	0.0029	0.017	0.0177
Trypanosoma brucei	importin beta-1 subunit, putative	0.006	0.049	0.0444
Giardia lamblia	Pyruvate kinase	0.0033	0.0215	0.5969
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.0266	0.0836
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0215	0.0224
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.017	0.0263
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0035	0.0054
Brugia malayi	Inositol-1	0.0077	0.0671	0.0698
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0077	0.0671	0.1876
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0034	0.0227	0.0169
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0232	0.036
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.017	0.143
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0034	0.0227	0.0169
Brugia malayi	vesicular acetylcholine transporter unc-17	0.0565	0.5717	0.5952
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0044	0.0327	0.034
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0266	0.0622
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.0266	0.0836
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.0266	0.0622
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0066	0.0204
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0034	0.0227	0.0227
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0034	0.0227	0.2112
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0034	0.0227	0.0501
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0215	0.0215
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0225	0.2201	0.8916
Toxoplasma gondii	NADPH-glutathione reductase	0.0034	0.0227	0.2112

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	> 50 um	PUBCHEM_BIOASSAY: Dose Response Cell Based Assay for Agonists of the S1P2 Receptor. (Class of assay: confirmatory) [Related pubchem assays: 729, 736, 843 ]	ChEMBL.	No reference
IC50 (functional)	83.02 uM	PubChem BioAssay. Discovery of small molecule inhibitors of the oncogenic and cytokinetic protein MgcRacGAP - Primary and Confirmatory Screens. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	1.2589 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.1623 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)	18.526 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)	18.526 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)	28.1838 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)	29.0929 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)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	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)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	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: CHEMBL1530136
Search by Saint Jude

Bibliographic References

No literature references available for this target.

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Detailed information for compound 801631