TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 249.292 | Formula: C10H11N5OS
H donors: 3 H acceptors: 1 LogP: -0.12 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: NC1=NC(OCc2cccs2)c2c(N1)nc[nH]2
InChi: 1S/C10H11N5OS/c11-10-14-8-7(12-5-13-8)9(15-10)16-4-6-2-1-3-17-6/h1-3,5,9H,4H2,(H,12,13)(H3,11,14,15)
InChiKey: PWGUAQZKTKBEPM-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	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
Candida albicans	6-O-methylguanine-DNA methylase	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
Trichomonas vaginalis	methylated-DNA--protein-cysteine methyltransferase, putative	Get druggable targets OG5_127355	All targets in OG5_127355
Leishmania major	hypothetical protein, conserved	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
Leishmania mexicana	hypothetical protein, conserved	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
Trypanosoma cruzi	O-6 methyl-guanine alkyl transferase, putative	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
Leishmania braziliensis	hypothetical protein, conserved	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
Candida albicans	6-O-methylguanine-DNA methylase	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
Mycobacterium ulcerans	methylated-DNA--protein-cysteine methyltransferase Ogt	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
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

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
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0334	0.4738	1
Echinococcus granulosus	Mastin	0.0334	0.4738	1
Treponema pallidum	methylated-DNA-protein-cysteine S-methyltransferase (dat)	0.0077	0.1023	1
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0008	0.0033	0.0018
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0022	0.0229	0.0628
Loa Loa (eye worm)	hypothetical protein	0.0106	0.144	0.3039
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0049	0.063	0.1858
Loa Loa (eye worm)	hypothetical protein	0.0334	0.4738	1
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0008	0.0025	0.0052
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0008	0.0033	0.0018
Loa Loa (eye worm)	cytochrome P450 family protein	0.0013	0.0106	0.0223
Loa Loa (eye worm)	trypsin family protein	0.0334	0.4738	1
Onchocerca volvulus	Huntingtin homolog	0.0106	0.144	0.3039
Trypanosoma cruzi	trypanothione reductase, putative	0.0022	0.0229	0.2047
Loa Loa (eye worm)	MH2 domain-containing protein	0.0068	0.0903	0.1906
Echinococcus granulosus	thioredoxin glutathione reductase	0.0022	0.0233	0.0492
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0055	0.0709	0.2103
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0008	0.0033	0.0018
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0008	0.0033	0.0027
Brugia malayi	cytochrome P450	0.0008	0.0033	0.0071
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0008	0.0033	0.0018
Schistosoma mansoni	hypothetical protein	0.0334	0.4738	1
Brugia malayi	MH2 domain containing protein	0.0068	0.0903	0.1906
Loa Loa (eye worm)	glutaminase	0.0157	0.2176	0.4592
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0008	0.0033	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0334	0.4738	1
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0008	0.0033	0.0018
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0049	0.063	0.1858
Echinococcus granulosus	cytochrome P450 2K1	0.0008	0.0033	0.0071
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0008	0.0033	0.0027
Loa Loa (eye worm)	transcription factor SMAD2	0.0068	0.0903	0.1906
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0008	0.0033	0.0253
Schistosoma mansoni	hypothetical protein	0.0008	0.0033	0.0071
Loa Loa (eye worm)	glutaminase 2	0.0157	0.2176	0.4592
Onchocerca volvulus		0.0334	0.4738	1
Onchocerca volvulus		0.0334	0.4738	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0052	0.0672	0.1372
Loa Loa (eye worm)	hypothetical protein	0.0334	0.4738	1
Plasmodium falciparum	glutathione reductase	0.0022	0.0229	1
Leishmania major	cytochrome p450-like protein	0.0013	0.0106	0.0812
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0334	0.4738	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0008	0.0025	0.5
Brugia malayi	Trypsin family protein	0.0334	0.4738	1
Leishmania major	cytochrome p450-like protein	0.0008	0.0033	0.0087
Plasmodium vivax	glutathione reductase, putative	0.0022	0.0229	1
Trypanosoma cruzi	cytochrome P450, putative	0.0013	0.0106	0.0812
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0008	0.0033	0.0027
Mycobacterium leprae	PROBABLE METHYLATED-DNA--PROTEIN-CYSTEINE METHYLTRANSFERASE OGT (6-O-methylguanine-DNA methyltransferase) (O-6-methylguanine-DNA	0.0233	0.3279	1
Leishmania major	trypanothione reductase	0.0022	0.0229	0.2047
Schistosoma mansoni	cercarial elastase (S01 family)	0.0334	0.4738	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0052	0.0672	0.1417
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0334	0.4738	0.4738
Schistosoma mansoni	cercarial elastase (S01 family)	0.0334	0.4738	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0334	0.4738	1
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0008	0.0033	0.0027
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0052	0.0672	0.1372
Schistosoma mansoni	glutaminase	0.0157	0.2176	0.4592
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0008	0.0033	0.0018
Brugia malayi	Cytochrome P450 family protein	0.0013	0.0106	0.0223
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0008	0.0033	0.0018
Schistosoma mansoni	cercarial elastase (S01 family)	0.0334	0.4738	1
Loa Loa (eye worm)	CYP4Cod1	0.0013	0.0106	0.0223
Brugia malayi	Trypsin family protein	0.0334	0.4738	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0049	0.063	0.1858
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0049	0.063	0.1858
Toxoplasma gondii	thioredoxin reductase	0.0022	0.0229	0.3159
Schistosoma mansoni	cercarial elastase (S01 family)	0.0334	0.4738	1
Loa Loa (eye worm)	cytochrome P450	0.0008	0.0033	0.0071
Schistosoma mansoni	cercarial elastase (S01 family)	0.0334	0.4738	1
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0008	0.0033	0.0027
Brugia malayi	Cytochrome P450 family protein	0.003	0.0349	0.0736
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0008	0.0033	0.0018
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0008	0.0033	0.0018
Mycobacterium tuberculosis	Probable dehydrogenase	0.0049	0.063	0.1858
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0008	0.0033	0.0018
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0052	0.0672	0.6481
Loa Loa (eye worm)	thioredoxin reductase	0.0022	0.0229	0.0484
Echinococcus granulosus	glycoprotein Antigen 5	0.0334	0.4738	1
Trichomonas vaginalis	glutaminase, putative	0.0157	0.2176	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0052	0.0672	0.1372
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0008	0.0033	0.0027
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0008	0.0033	0.0018
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0334	0.4738	1
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0008	0.0033	0.0018
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0008	0.0033	0.0027
Onchocerca volvulus		0.0334	0.4738	1
Loa Loa (eye worm)	hypothetical protein	0.0334	0.4738	1
Plasmodium vivax	thioredoxin reductase, putative	0.0022	0.0229	1
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0334	0.4738	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0334	0.4738	1
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0008	0.0033	0.0027
Mycobacterium tuberculosis	Methylated-DNA--protein-cysteine methyltransferase Ogt (6-O-methylguanine-DNA methyltransferase) (O-6-methylguanine-DNA-alkyltra	0.0233	0.3279	1
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0008	0.0033	0.0087
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0334	0.4738	1
Onchocerca volvulus		0.0334	0.4738	1
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0008	0.0033	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0106	0.144	0.3039
Loa Loa (eye worm)	hypothetical protein	0.0334	0.4738	1
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0008	0.0033	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0334	0.4738	1
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0008	0.0033	0.0018
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0008	0.0033	0.0027
Mycobacterium ulcerans	DNA-methyltransferase (modification methylase)	0.0031	0.0366	0.0725
Onchocerca volvulus	Huntingtin homolog	0.0106	0.144	0.3039
Mycobacterium ulcerans	methylated-DNA--protein-cysteine methyltransferase Ogt	0.0233	0.3279	0.6905
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0008	0.0033	0.0027
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0008	0.0025	0.5
Leishmania major	hypothetical protein, conserved	0.0077	0.1023	1
Echinococcus multilocularis	Mastin	0.0334	0.4738	0.4738
Trypanosoma cruzi	cytochrome P450, putative	0.0013	0.0106	0.0812
Schistosoma mansoni	hypothetical protein	0.0334	0.4738	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0334	0.4738	1
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0008	0.0025	0.0052
Trypanosoma cruzi	O-6 methyl-guanine alkyl transferase, putative	0.0077	0.1023	1
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0008	0.0033	0.0027
Trichomonas vaginalis	methylated-DNA--protein-cysteine methyltransferase, putative	0.0077	0.1023	0.464
Trypanosoma cruzi	O-6 methyl-guanine alkyl transferase, putative	0.0077	0.1023	1
Echinococcus granulosus	enteropeptidase	0.0334	0.4738	1
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0008	0.0033	0.0087
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0008	0.0033	0.0027
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0008	0.0033	0.0027
Brugia malayi	Trypsin family protein	0.0334	0.4738	1
Brugia malayi	Cytochrome P450 family protein	0.0008	0.0033	0.0071
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0008	0.0033	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0334	0.4738	1
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0008	0.0033	0.0027
Schistosoma mansoni	cercarial elastase (S01 family)	0.0334	0.4738	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0022	0.0233	0.0233
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0008	0.0025	0.0025
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0008	0.0033	0.0018
Schistosoma mansoni	cercarial elastase (S01 family)	0.0334	0.4738	1
Trypanosoma brucei	hypothetical protein, conserved	0.0031	0.0366	1
Brugia malayi	glutaminase DH11.1	0.0157	0.2176	0.4592
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0049	0.063	0.1837
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0008	0.0033	0.0018
Echinococcus multilocularis	glycoprotein Antigen 5	0.0334	0.4738	0.4738
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0008	0.0033	0.0027
Echinococcus multilocularis	transmembrane protease serine 3	0.0334	0.4738	0.4738
Brugia malayi	Cytochrome P450 family protein	0.0013	0.0106	0.0223
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0052	0.0672	0.1417
Schistosoma mansoni	cercarial elastase (S01 family)	0.0334	0.4738	1
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0008	0.0033	0.0027
Brugia malayi	hypothetical protein	0.0106	0.144	0.3039
Mycobacterium tuberculosis	Probable oxidoreductase	0.0055	0.0709	0.2103
Loa Loa (eye worm)	cytochrome P450 family protein	0.0013	0.0106	0.0223
Brugia malayi	hypothetical protein	0.0334	0.4738	1
Brugia malayi	glutathione reductase	0.0022	0.0229	0.0484
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0052	0.0672	0.1987
Mycobacterium ulcerans	hypothetical protein	0.0334	0.4738	1
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0008	0.0033	0.0018
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0013	0.0106	0.0172
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0334	0.4738	1
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0008	0.0025	0.0052
Mycobacterium tuberculosis	Probable reductase	0.0049	0.063	0.1858
Echinococcus multilocularis	enteropeptidase	0.0334	0.4738	0.4738
Trypanosoma brucei	trypanothione reductase	0.0022	0.0229	0.5981
Schistosoma mansoni	cytochrome P450	0.0008	0.0033	0.0071
Schistosoma mansoni	aldehyde dehydrogenase	0.0052	0.0672	0.1417
Brugia malayi	Thioredoxin reductase	0.0022	0.0229	0.0484
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0008	0.0033	0.0027
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0052	0.0672	0.0672
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0008	0.0033	0.0027
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0334	0.4738	1
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0008	0.0033	0.0018
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0334	0.4738	1
Loa Loa (eye worm)	glutathione reductase	0.0022	0.0229	0.0484
Mycobacterium ulcerans	glutaminase	0.0157	0.2176	0.4563
Echinococcus granulosus	transmembrane protease serine 3	0.0334	0.4738	1
Chlamydia trachomatis	methylated-DNA protein-cysteine methyltransferase	0.0077	0.1023	1
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0008	0.0033	0.0087
Trypanosoma brucei	cytochrome P450, putative	0.0013	0.0106	0.2373
Brugia malayi	Trypsin-like protease protein 5	0.0334	0.4738	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0052	0.0672	1
Brugia malayi	Trypsin family protein	0.0334	0.4738	1
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0008	0.0033	0.0027
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0334	0.4738	1
Onchocerca volvulus		0.0334	0.4738	1
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0008	0.0033	0.0134
Onchocerca volvulus		0.0334	0.4738	1
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0008	0.0033	0.0018
Plasmodium falciparum	thioredoxin reductase	0.0022	0.0229	1
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0334	0.4738	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.003	0.0349	0.0736
Schistosoma mansoni	cercarial elastase (S01 family)	0.0334	0.4738	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0055	0.0709	0.2103
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0008	0.0025	0.5
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0334	0.4738	0.4738
Leishmania major	cytochrome p450-like protein	0.0008	0.0033	0.0087
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0055	0.0709	0.2082
Echinococcus multilocularis		0.0008	0.0033	0.0033

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.018 uM	O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity (Concentration of inactivator required to produce 50% reduction in ATPase activity)	ChEMBL.	9857094
IC50 (binding)	= 0.018 uM	O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity (Concentration of inactivator required to produce 50% reduction in ATPase activity)	ChEMBL.	9857094
IC50 (binding)	= 0.03 uM	O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity in Raji cells (Concentration of inactivator required to produce 50% reduction in ATPase activity)	ChEMBL.	9857094
IC50 (binding)	= 0.03 uM	O6-Alkylguanine-DNA Alkyltransferase-Inactivating Activity in Raji cells (Concentration of inactivator required to produce 50% reduction in ATPase activity)	ChEMBL.	9857094
T1/2 (ADMET)	= 0.67 hr	In vitro half-life of the compound at 37 degree centigrade in phosphate-buffered saline(PBS; pH =7-7.2)	ChEMBL.	9857094

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

ChEMBL: CHEMBL151579

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 258417