TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 556.387 | Formula: C20H22BrN5O7S
H donors: 5 H acceptors: 7 LogP: -0.21 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: OCC1O[C@H](OCC#CCn2cnc3c2nc(N)nc3OCc2scc(c2)Br)C([C@@H]([C@@H]1O)O)O
InChi: 1S/C20H22BrN5O7S/c21-10-5-11(34-8-10)7-32-18-13-17(24-20(22)25-18)26(9-23-13)3-1-2-4-31-19-16(30)15(29)14(28)12(6-27)33-19/h5,8-9,12,14-16,19,27-30H,3-4,6-7H2,(H2,22,24,25)/t12?,14-,15-,16?,19+/m1/s1
InChiKey: VMFFMDRDAJWSKJ-FVTPLQJKSA-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	O-6-methylguanine-DNA methyltransferase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania major	hypothetical protein, conserved	Get druggable targets OG5_127355	All targets in OG5_127355
Candida albicans	6-O-methylguanine-DNA methylase	Get druggable targets OG5_127355	All targets in OG5_127355
Candida albicans	similar to bacterial Ada regulatory protein	Get druggable targets OG5_127355	All targets in OG5_127355
Trypanosoma cruzi	O-6 methyl-guanine alkyl transferase, putative	Get druggable targets OG5_127355	All targets in OG5_127355
Trichomonas vaginalis	methylated-DNA--protein-cysteine methyltransferase, putative	Get druggable targets OG5_127355	All targets in OG5_127355
Mycobacterium ulcerans	methylated-DNA--protein-cysteine methyltransferase Ogt	Get druggable targets OG5_127355	All targets in OG5_127355
Trypanosoma cruzi	O-6 methyl-guanine alkyl transferase, putative	Get druggable targets OG5_127355	All targets in OG5_127355
Leishmania infantum	hypothetical protein, conserved	Get druggable targets OG5_127355	All targets in OG5_127355
Leishmania mexicana	hypothetical protein, conserved	Get druggable targets OG5_127355	All targets in OG5_127355
Leishmania braziliensis	hypothetical protein, conserved	Get druggable targets OG5_127355	All targets in OG5_127355
Candida albicans	6-O-methylguanine-DNA methylase	Get druggable targets OG5_127355	All targets in OG5_127355
Treponema pallidum	methylated-DNA-protein-cysteine S-methyltransferase (dat)	Get druggable targets OG5_127355	All targets in OG5_127355
Candida albicans	similar to bacterial Ada regulatory protein	Get druggable targets OG5_127355	All targets in OG5_127355
Leishmania donovani	methylated-DNA-[protein]-cysteine S-methyltransferase, putative	Get druggable targets OG5_127355	All targets in OG5_127355
Mycobacterium leprae	PROBABLE METHYLATED-DNA--PROTEIN-CYSTEINE METHYLTRANSFERASE OGT (6-O-methylguanine-DNA methyltransferase) (O-6-methylguanine-DNA	Get druggable targets OG5_127355	All targets in OG5_127355
Chlamydia trachomatis	methylated-DNA protein-cysteine methyltransferase	Get druggable targets OG5_127355	All targets in OG5_127355
Mycobacterium tuberculosis	Methylated-DNA--protein-cysteine methyltransferase Ogt (6-O-methylguanine-DNA methyltransferase) (O-6-methylguanine-DNA-alkyltra	Get druggable targets OG5_127355	All targets in OG5_127355

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0099	0.0969	0.2324
Onchocerca volvulus		0.0042	0.0236	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0104	0.0097
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.016	0.0193
Echinococcus granulosus	rhodopsin orphan GPCR	0.0042	0.0236	0.0471
Echinococcus granulosus	sex peptide receptor	0.0042	0.0236	0.0471
Echinococcus granulosus	g protein coupled receptor	0.0042	0.0236	0.0471
Loa Loa (eye worm)	G-protein coupled receptor	0.0042	0.0236	0.0431
Echinococcus granulosus	rhodopsin orphan GPCR	0.0042	0.0236	0.0471
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Schistosoma mansoni	hypothetical protein	0.0042	0.0236	0.0431
Echinococcus multilocularis	neuropeptide receptor A26	0.0042	0.0236	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.016	0.0505
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0042	0.0236	0.0471
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0332	0.3941	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Schistosoma mansoni	hypothetical protein	0.0068	0.0569	0.129
Echinococcus granulosus	neuropeptides capa receptor	0.0042	0.0236	0.0471
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0042	0.0236	0.0431
Treponema pallidum	methylated-DNA-protein-cysteine S-methyltransferase (dat)	0.0077	0.0682	0.5
Echinococcus multilocularis	neuropeptide receptor	0.0042	0.0236	0.0168
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.016	0.0235
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0042	0.0236	0.0168
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0042	0.0236	0.0431
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0104	0.0089
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0042	0.0236	0.0168
Echinococcus granulosus	rhodopsin orphan GPCR	0.0042	0.0236	0.0471
Schistosoma mansoni	opsin-like receptor	0.0042	0.0236	0.0431
Brugia malayi	hypothetical protein	0.0042	0.0236	0.0431
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0042	0.0236	0.0431
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0042	0.0236	0.0431
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Echinococcus granulosus	neuropeptide s receptor	0.0042	0.0236	0.0471
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0104	0.0097
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0042	0.0236	0.0471
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0042	0.0236	0.0168
Echinococcus multilocularis	g protein coupled receptor	0.0042	0.0236	0.0168
Echinococcus multilocularis	neuropeptide Y receptor	0.0042	0.0236	0.0168
Loa Loa (eye worm)	glutaminase 2	0.0272	0.3174	0.8019
Brugia malayi	hypothetical protein	0.0042	0.0236	0.0431
Brugia malayi	hypothetical protein	0.0042	0.0236	0.0431
Schistosoma mansoni	hypothetical protein	0.0042	0.0236	0.0431
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0042	0.0236	0.0471
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Schistosoma mansoni	adenoreceptor	0.0042	0.0236	0.0431
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0306	0.3612	0.9149
Echinococcus multilocularis	serotonin receptor	0.0161	0.1762	0.1704
Brugia malayi	Serotonin receptor	0.0042	0.0236	0.0431
Schistosoma mansoni	hypothetical protein	0.0031	0.0104	0.0089
Echinococcus granulosus	g protein coupled receptor	0.0042	0.0236	0.0471
Echinococcus multilocularis	somatostatin receptor	0.0042	0.0236	0.0168
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0042	0.0236	0.0168
Echinococcus granulosus	neuropeptide Y receptor	0.0042	0.0236	0.0471
Echinococcus granulosus	tm gpcr rhodopsin	0.0042	0.0236	0.0471
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0104	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0042	0.0236	0.0168
Schistosoma mansoni	growth hormone secretagogue receptor	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0296	0.3478	0.8804
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Schistosoma mansoni	neuropeptide receptor	0.0042	0.0236	0.0431
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0042	0.0236	0.0431
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0042	0.0236	0.0431
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.1219	0.297
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0042	0.0236	0.0431
Brugia malayi	putative neuropeptide receptor NPR1	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Onchocerca volvulus		0.0042	0.0236	1
Brugia malayi	hypothetical protein	0.0042	0.0236	0.0431
Brugia malayi	hypothetical protein	0.0042	0.0236	0.0431
Onchocerca volvulus		0.0042	0.0236	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.016	0.0257
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0042	0.0236	0.0431
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0042	0.0236	0.0168
Loa Loa (eye worm)	melatonin receptor type 1A	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.016	0.0505
Schistosoma mansoni	amine GPCR	0.0042	0.0236	0.0431
Brugia malayi	Dopamine receptor protein 1	0.0042	0.0236	0.0431
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.016	0.0235
Brugia malayi	follicle stimulating hormone receptor	0.0042	0.0236	0.0431
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.1219	0.297
Brugia malayi	ORL1-like opioid receptor	0.0042	0.0236	0.0431
Schistosoma mansoni	neuropeptide receptor	0.0042	0.0236	0.0431
Onchocerca volvulus		0.0042	0.0236	1
Schistosoma mansoni	myosin xvIII	0.0042	0.0236	0.0431
Chlamydia trachomatis	methylated-DNA protein-cysteine methyltransferase	0.0077	0.0682	0.5
Brugia malayi	beta-lactamase family protein	0.0036	0.016	0.0235
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0042	0.0236	0.0168
Schistosoma mansoni	hypothetical protein	0.0042	0.0236	0.0431
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.016	1
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0042	0.0236	0.0168
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0042	0.0236	0.0471
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.016	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Echinococcus granulosus	somatostatin receptor	0.0042	0.0236	0.0471
Schistosoma mansoni	amine GPCR	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0332	0.3941	1
Onchocerca volvulus		0.0042	0.0236	1
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0042	0.0236	0.0471
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0104	0.0035
Mycobacterium ulcerans	lipase LipD	0.0036	0.016	0.0193
Brugia malayi	G-protein coupled receptor	0.0042	0.0236	0.0431
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0229	0.2624	0.9785
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0042	0.0236	0.0168
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0099	0.0969	0.2324
Echinococcus multilocularis	neuropeptides capa receptor	0.0042	0.0236	0.0168
Onchocerca volvulus		0.0042	0.0236	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0161	0.1762	0.4778
Schistosoma mansoni	biogenic amine receptor	0.0042	0.0236	0.0431
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.016	1
Brugia malayi	hypothetical protein	0.0042	0.0236	0.0431
Echinococcus granulosus	tm gpcr rhodopsin	0.0042	0.0236	0.0471
Brugia malayi	hypothetical protein	0.0042	0.0236	0.0431
Schistosoma mansoni	hypothetical protein	0.0031	0.0104	0.0089
Onchocerca volvulus		0.0042	0.0236	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0042	0.0236	0.0168
Echinococcus granulosus	7tm_1 domain containing protein	0.0042	0.0236	0.0471
Echinococcus granulosus	neuropeptides capa receptor	0.0042	0.0236	0.0471
Echinococcus multilocularis	neuropeptide Y receptor	0.0042	0.0236	0.0168
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0042	0.0236	0.0168
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0161	0.1762	0.4371
Schistosoma mansoni	neuropeptide receptor	0.0042	0.0236	0.0431
Echinococcus multilocularis	neuropeptides capa receptor	0.0042	0.0236	0.0168
Trichomonas vaginalis	glutaminase, putative	0.0272	0.3174	1
Brugia malayi	MH2 domain containing protein	0.0119	0.1219	0.297
Brugia malayi	neuropeptide F receptor	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Echinococcus multilocularis	dro:myosuppressin receptor	0.0042	0.0236	0.0168
Mycobacterium ulcerans	hypothetical protein	0.0036	0.016	0.0193
Brugia malayi	G protein-coupled receptor F59B2.13	0.0042	0.0236	0.0431
Loa Loa (eye worm)	glutaminase	0.0272	0.3174	0.8019
Toxoplasma gondii	ABC1 family protein	0.0036	0.016	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0042	0.0236	0.0431
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Echinococcus multilocularis	snurportin 1	0.0306	0.3612	0.3567
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0042	0.0236	0.0431
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0042	0.0236	0.0431
Brugia malayi	larval opioid receptor	0.0042	0.0236	0.0431
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.016	0.2351
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0042	0.0236	0.0431
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0042	0.0236	0.0431
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0042	0.0236	1
Echinococcus multilocularis	fmrfamide receptor	0.0042	0.0236	0.0168
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0332	0.3941	1
Schistosoma mansoni	biogenic amine receptor	0.0042	0.0236	0.0431
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0104	0.0089
Brugia malayi	sulfakinin receptor protein	0.0042	0.0236	0.0431
Brugia malayi	hypothetical protein	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Echinococcus granulosus	rhodopsin orphan GPCR	0.0042	0.0236	0.0471
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0042	0.0236	0.0168
Schistosoma mansoni	hypothetical protein	0.0042	0.0236	0.0431
Brugia malayi	RNA, U transporter 1	0.0082	0.0744	0.1743
Onchocerca volvulus		0.0042	0.0236	1
Leishmania major	hypothetical protein, conserved	0.0077	0.0682	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0042	0.0236	0.0471
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0104	0.0035
Echinococcus granulosus	rhodopsin orphan GPCR	0.0042	0.0236	0.0471
Brugia malayi	neuropeptide F receptor	0.0042	0.0236	0.0431
Echinococcus granulosus	G protein coupled receptor 139	0.0042	0.0236	0.0471
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Onchocerca volvulus		0.0042	0.0236	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0042	0.0236	0.0471
Onchocerca volvulus		0.0042	0.0236	1
Echinococcus multilocularis	g protein coupled receptor	0.0042	0.0236	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0969	0.2324
Loa Loa (eye worm)	hypothetical protein	0.0036	0.016	0.0235
Schistosoma mansoni	hypothetical protein	0.0031	0.0104	0.0089
Echinococcus multilocularis	g protein coupled receptor	0.0042	0.0236	0.0168
Echinococcus multilocularis	G protein coupled receptor 139	0.0042	0.0236	0.0168
Echinococcus granulosus	snurportin 1	0.0306	0.3612	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0042	0.0236	0.0431
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.016	0.0235
Brugia malayi	G protein-coupled receptor	0.0042	0.0236	0.0431
Brugia malayi	beta-lactamase	0.0036	0.016	0.0235
Schistosoma mansoni	opsin-like receptor	0.0042	0.0236	0.0431
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.016	0.0505
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0042	0.0236	0.0431
Schistosoma mansoni	amine GPCR	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0042	0.0236	0.0431
Loa Loa (eye worm)	neuropeptide F receptor	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0042	0.0236	0.0168
Echinococcus granulosus	rhodopsin orphan GPCR	0.0042	0.0236	0.0471
Echinococcus granulosus	g protein coupled receptor	0.0042	0.0236	0.0471
Echinococcus granulosus	g-protein coupled receptor	0.0042	0.0236	0.0471
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Schistosoma mansoni	glutaminase	0.0272	0.3174	0.8019
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0042	0.0236	0.0431
Onchocerca volvulus		0.0042	0.0236	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0042	0.0236	0.0431
Echinococcus granulosus	hypothetical protein	0.0042	0.0236	0.0471
Echinococcus granulosus	neuropeptide receptor A26	0.0042	0.0236	0.0471
Echinococcus multilocularis	sex peptide receptor	0.0042	0.0236	0.0168
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0042	0.0236	0.0431
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0042	0.0236	1
Brugia malayi	GnHR receptor homolog	0.0042	0.0236	0.0431
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0042	0.0236	0.0168
Echinococcus granulosus	GPCR family 2	0.0031	0.0104	0.0097
Loa Loa (eye worm)	neuropeptide F receptor	0.0042	0.0236	0.0431
Echinococcus granulosus	neuropeptide FF receptor 2	0.0042	0.0236	0.0471
Onchocerca volvulus		0.0042	0.0236	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Echinococcus granulosus	neuropeptide receptor	0.0042	0.0236	0.0471
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Brugia malayi	hypothetical protein	0.0042	0.0236	0.0431
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Mycobacterium tuberculosis	Methylated-DNA--protein-cysteine methyltransferase Ogt (6-O-methylguanine-DNA methyltransferase) (O-6-methylguanine-DNA-alkyltra	0.0233	0.2678	1
Echinococcus granulosus	serotonin receptor	0.0042	0.0236	0.0471
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Loa Loa (eye worm)	beta-lactamase	0.0036	0.016	0.0235
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0042	0.0236	0.0471
Loa Loa (eye worm)	hypothetical protein	0.0332	0.3941	1
Schistosoma mansoni	amine GPCR	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Brugia malayi	Serotonin receptor	0.0042	0.0236	0.0431
Echinococcus multilocularis	g-protein coupled receptor	0.0042	0.0236	0.0168
Onchocerca volvulus		0.0042	0.0236	1
Leishmania major	hypothetical protein, conserved	0.0036	0.016	0.2351
Echinococcus multilocularis	serotonin receptor	0.0161	0.1762	0.1704
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0042	0.0236	0.0168
Mycobacterium ulcerans	glutaminase	0.0272	0.3174	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0042	0.0236	0.0431
Trypanosoma brucei	hypothetical protein, conserved	0.0031	0.0101	0.3501
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Trichomonas vaginalis	methylated-DNA--protein-cysteine methyltransferase, putative	0.0077	0.0682	0.2148
Loa Loa (eye worm)	hypothetical protein	0.0036	0.016	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0036	0.016	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0161	0.1762	0.4371
Echinococcus granulosus	biogenic amine 5HT receptor	0.0042	0.0236	0.0471
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0104	0.0089
Schistosoma mansoni	amine GPCR	0.0042	0.0236	0.0431
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0042	0.0236	0.0168
Brugia malayi	putative neuropeptide receptor	0.0042	0.0236	0.0431
Echinococcus granulosus	allatostatin A receptor	0.0042	0.0236	0.0471
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.016	0.0505
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0042	0.0236	0.0431
Echinococcus granulosus	orexin receptor type 2	0.0042	0.0236	0.0471
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.016	0.0235
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0042	0.0236	0.0168
Onchocerca volvulus		0.0042	0.0236	1
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0042	0.0236	0.0168
Echinococcus granulosus	fmrfamide receptor	0.0042	0.0236	0.0471
Echinococcus multilocularis	allatostatin A receptor	0.0042	0.0236	0.0168
Echinococcus multilocularis	fmrfamide receptor	0.0042	0.0236	0.0168
Loa Loa (eye worm)	TYRA-2 protein	0.0042	0.0236	0.0431
Brugia malayi	AKH receptor	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Mycobacterium ulcerans	beta-lactamase	0.0036	0.016	0.0193
Entamoeba histolytica	hypothetical protein	0.0023	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.016	0.2351
Echinococcus granulosus	tm gpcr rhodopsin	0.0042	0.0236	0.0471
Echinococcus multilocularis	orexin receptor type 2	0.0042	0.0236	0.0168
Plasmodium falciparum	importin beta, putative	0.0029	0.0069	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.016	0.0235
Onchocerca volvulus		0.0042	0.0236	1
Echinococcus granulosus	neuropeptide Y receptor	0.0042	0.0236	0.0471
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0042	0.0236	0.0471
Onchocerca volvulus		0.0042	0.0236	1
Schistosoma mansoni	hypothetical protein	0.0031	0.0104	0.0089
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.016	0.0505
Onchocerca volvulus		0.0042	0.0236	1
Trypanosoma cruzi	O-6 methyl-guanine alkyl transferase, putative	0.0077	0.0682	1
Echinococcus granulosus	dro:myosuppressin receptor	0.0042	0.0236	0.0471
Trypanosoma cruzi	O-6 methyl-guanine alkyl transferase, putative	0.0077	0.0682	1
Schistosoma mansoni	neuropeptide receptor	0.0042	0.0236	0.0431
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0042	0.0236	0.0168
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.016	0.0193
Brugia malayi	Melatonin receptor type 1A	0.0042	0.0236	0.0431
Brugia malayi	beta-lactamase family protein	0.0036	0.016	0.0235
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0042	0.0236	0.0431
Brugia malayi	G-protein coupled receptor	0.0042	0.0236	0.0431
Schistosoma mansoni	opsin-like receptor	0.0042	0.0236	0.0431
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0042	0.0236	0.0431
Schistosoma mansoni	biogenic amine receptor	0.0042	0.0236	0.0431
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0042	0.0236	0.0431
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0042	0.0236	0.0431
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0099	0.0969	0.2324
Loa Loa (eye worm)	hypothetical protein	0.0161	0.1762	0.4371
Brugia malayi	Dopamine receptor protein 2	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0104	0.0089
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0042	0.0236	0.0168
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0042	0.0236	0.0471
Trichomonas vaginalis	esterase, putative	0.0036	0.016	0.0505
Echinococcus multilocularis	neuropeptide s receptor	0.0042	0.0236	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Echinococcus granulosus	neuropeptide receptor	0.0042	0.0236	0.0471
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0569	0.129
Schistosoma mansoni	neuropeptide F-like receptor	0.0042	0.0236	0.0431
Brugia malayi	hypothetical protein	0.0042	0.0236	0.0431
Mycobacterium leprae	PROBABLE METHYLATED-DNA--PROTEIN-CYSTEINE METHYLTRANSFERASE OGT (6-O-methylguanine-DNA methyltransferase) (O-6-methylguanine-DNA	0.0233	0.2678	1
Echinococcus granulosus	7TM GPCR rhodopsin	0.0042	0.0236	0.0471
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0042	0.0236	0.0168
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0036	0.016	0.0235
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0042	0.0236	0.0431
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0042	0.0236	0.0168
Brugia malayi	RE15519p	0.0042	0.0236	0.0431
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.0569	0.129
Echinococcus multilocularis	neuropeptide receptor	0.0042	0.0236	0.0168
Brugia malayi	glutaminase DH11.1	0.0272	0.3174	0.8019
Schistosoma mansoni	neuropeptide F-like receptor	0.0042	0.0236	0.0431
Mycobacterium ulcerans	methylated-DNA--protein-cysteine methyltransferase Ogt	0.0233	0.2678	0.8385
Schistosoma mansoni	hypothetical protein	0.0306	0.3612	0.9149
Brugia malayi	Dopamine receptor	0.0042	0.0236	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0036	0.016	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0236	0.0431
Schistosoma mansoni	histamine h1 receptor	0.0042	0.0236	0.0431
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0042	0.0236	0.0168
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0042	0.0236	0.0168

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.25 uM	In vitro inhibition of MGMT using cell free extracts from HeLa S3 cells	ChEMBL.	11708909
IC50 (binding)	= 0.25 uM	In vitro inhibition of MGMT using cell free extracts from HeLa S3 cells	ChEMBL.	11708909

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 228757