TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 577.509 | Formula: C22H29BrN2O7S2
H donors: 1 H acceptors: 5 LogP: 2.93 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: OC[C@H](N1C[C@@H](C)[C@H](Oc2c(S1(=O)=O)ccc(c2)Br)CN(S(=O)(=O)c1ccc(cc1)OC)C)C
InChi: 1S/C22H29BrN2O7S2/c1-15-12-25(16(2)14-26)34(29,30)22-10-5-17(23)11-20(22)32-21(15)13-24(3)33(27,28)19-8-6-18(31-4)7-9-19/h5-11,15-16,21,26H,12-14H2,1-4H3/t15-,16-,21-/m1/s1
InChiKey: ZFSVTLZMVLAXCM-WHSLLNHNSA-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	parathyroid hormone 1 receptor	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
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
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196
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)	GTP-binding regulatory protein Gs alpha-S chain	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
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	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

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0036	0.0748	0.201
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0756	0.1382
Brugia malayi	Pre-SET motif family protein	0.0031	0.0587	0.0673
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0566	0.1326
Trichomonas vaginalis	chromobox protein, putative	0.0075	0.1944	0.2344
Schistosoma mansoni	chromobox protein	0.0075	0.1944	0.1908
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0116	0.002
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0922	0.1045
Trypanosoma brucei	trypanothione reductase	0.0105	0.2875	1
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0036	0.0748	0.201
Schistosoma mansoni	hypothetical protein	0.0035	0.071	0.0669
Plasmodium falciparum	glutathione reductase	0.0105	0.2875	1
Treponema pallidum	NADH oxidase	0.0036	0.0748	0.5
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0566	0.1326
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0036	0.0748	0.201
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0542	0.0561
Entamoeba histolytica	hypothetical protein	0.0037	0.0756	0.5
Toxoplasma gondii	histone lysine methyltransferase SET1	0.006	0.1469	0.4721
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0036	0.0748	0.201
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0531	0.0971
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0036	0.0748	0.201
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0036	0.0748	0.1366
Onchocerca volvulus		0.0043	0.0967	0.1353
Onchocerca volvulus		0.0033	0.0641	0.0896
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0035	0.071	0.1297
Brugia malayi	isocitrate dehydrogenase	0.0019	0.0213	0.02
Echinococcus multilocularis	isocitrate dehydrogenase	0.0019	0.0213	0.0388
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0641	0.0741
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0111	0.3065	0.3806
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0587	0.1073
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0587	0.1073
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0036	0.0748	0.0698
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0266	0.7873	1
Trichomonas vaginalis	mercuric reductase, putative	0.0036	0.0748	0.0823
Schistosoma mansoni	hypothetical protein	0.0076	0.1975	0.1939
Brugia malayi	SET domain containing protein	0.0014	0.0056	0.0001
Entamoeba histolytica	hypothetical protein	0.0037	0.0756	0.5
Loa Loa (eye worm)	glutaminase 2	0.0269	0.7964	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0105	0.2875	0.5253
Mycobacterium tuberculosis	Probable oxidoreductase	0.0266	0.7873	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1336	0.2442
Loa Loa (eye worm)	thioredoxin reductase	0.0105	0.2875	0.3565
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0043	0.0967	0.0928
Brugia malayi	hypothetical protein	0.0037	0.0756	0.0887
Trichomonas vaginalis	glutathione reductase, putative	0.0036	0.0748	0.0823
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1336	0.1298
Loa Loa (eye worm)	glutathione reductase	0.0105	0.2875	0.3565
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0036	0.0748	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1336	0.1298
Echinococcus multilocularis	chromobox protein 1	0.0075	0.1944	0.3552
Brugia malayi	glutathione reductase	0.0105	0.2875	0.3565
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0266	0.7873	1
Trichomonas vaginalis	chromobox protein, putative	0.0045	0.1021	0.1171
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0019	0.0213	0.02
Toxoplasma gondii	NADPH-glutathione reductase	0.0036	0.0748	0.201
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0756	0.1382
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0036	0.0748	0.201
Echinococcus multilocularis	geminin	0.0188	0.5472	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0587	0.1407
Schistosoma mansoni	hypothetical protein	0.0035	0.071	0.0669
Mycobacterium tuberculosis	Probable reductase	0.0239	0.7044	0.8918
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0014	0.0055	0.0011
Echinococcus granulosus	chromobox protein 1	0.0075	0.1944	0.3552
Plasmodium vivax	SET domain protein, putative	0.0031	0.0587	0.1407
Plasmodium vivax	thioredoxin reductase, putative	0.0105	0.2875	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0036	0.0748	0.201
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0566	0.1326
Echinococcus granulosus	geminin	0.0188	0.5472	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.3359	0.4178
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0566	0.1326
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0239	0.7044	0.8918
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.0922	0.129
Entamoeba histolytica	hypothetical protein	0.0037	0.0756	0.5
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0014	0.0044	0.008
Loa Loa (eye worm)	hypothetical protein	0.0035	0.071	0.0828
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0019	0.0217	0.0148
Schistosoma mansoni	cpg binding protein	0.0033	0.0632	0.0591
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1336	0.162
Echinococcus granulosus	thioredoxin glutathione reductase	0.0105	0.2875	0.5253
Echinococcus granulosus	GPCR family 2	0.0035	0.071	0.1297
Mycobacterium tuberculosis	Probable dehydrogenase	0.0239	0.7044	0.8918
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0019	0.0217	0.0148
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0036	0.0748	0.1366
Loa Loa (eye worm)	glutaminase	0.0269	0.7964	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0075	0.1944	0.2388
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0578	0.0661
Schistosoma mansoni	cpg binding protein	0.0033	0.0632	0.0591
Entamoeba histolytica	hypothetical protein	0.0037	0.0756	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0076	0.1975	0.2428
Echinococcus granulosus	chromobox protein 1	0.0075	0.1944	0.3552
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0266	0.7873	1
Schistosoma mansoni	hypothetical protein	0.0188	0.5472	0.5452
Trichomonas vaginalis	glutaminase, putative	0.0269	0.7964	1
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0036	0.0748	0.0876
Echinococcus multilocularis	chromodomain helicase DNA binding protein 4	0.0014	0.0055	0.01
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0036	0.0748	0.201
Brugia malayi	Thioredoxin reductase	0.0105	0.2875	0.3565
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0213	0.624	0.782
Brugia malayi	Latrophilin receptor protein 2	0.0035	0.071	0.0828
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0036	0.0748	0.201
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0019	0.0217	0.0148
Leishmania major	trypanothione reductase	0.0105	0.2875	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0036	0.0748	0.201
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0036	0.0748	0.201
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0035	0.071	0.1297
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0105	0.2875	0.3475
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0019	0.0213	0.0388
Loa Loa (eye worm)	hypothetical protein	0.0111	0.3065	0.3806
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0035	0.071	0.0828
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0587	0.0546
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0036	0.0748	0.201
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0036	0.0748	0.201
Brugia malayi	Isocitrate dehydrogenase	0.0019	0.0213	0.02
Brugia malayi	Pre-SET motif family protein	0.0213	0.624	0.782
Schistosoma mansoni	hypothetical protein	0.0035	0.071	0.0669
Schistosoma mansoni	hypothetical protein	0.0035	0.071	0.0669
Echinococcus multilocularis	GPCR, family 2	0.0035	0.071	0.1297
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1336	0.2442
Echinococcus multilocularis	chromobox protein 1	0.0075	0.1944	0.3552
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1336	0.1298
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0036	0.0748	0.201
Echinococcus granulosus	cpg binding protein	0.0033	0.0632	0.1155
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0036	0.0748	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0542	0.0561
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0019	0.0217	0.0148
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0036	0.0748	0.5
Loa Loa (eye worm)	hypothetical protein	0.003	0.0566	0.0646
Toxoplasma gondii	thioredoxin reductase	0.0105	0.2875	1
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0756	0.0715
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1336	0.162
Onchocerca volvulus	Huntingtin homolog	0.012	0.3359	0.4697
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0019	0.0217	0.0148
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0019	0.0217	0.0148
Plasmodium falciparum	glutathione reductase	0.0036	0.0748	0.201
Trichomonas vaginalis	chromobox protein, putative	0.0075	0.1944	0.2344
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0036	0.0748	0.201
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0036	0.0748	0.201
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0035	0.071	0.1297
Mycobacterium ulcerans	glutaminase	0.0269	0.7964	1
Brugia malayi	hypothetical protein	0.003	0.0566	0.0646
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1336	0.2442
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0566	0.1326
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1336	0.2442
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0027	0.0448	0.0498
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0578	0.0661
Plasmodium vivax	glutathione reductase, putative	0.0105	0.2875	1
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0019	0.0213	0.0169
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0566	0.1326
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0027	0.0448	0.0498
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0239	0.7044	0.8918
Brugia malayi	hypothetical protein	0.002	0.023	0.0222
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0566	0.1326
Brugia malayi	chromobox protein homolog 3	0.0042	0.0922	0.1097
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0922	0.1097
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0067	0.1686	0.165
Brugia malayi	Heterochromatin protein 1	0.0075	0.1944	0.2388
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0036	0.0748	0.201
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0036	0.0748	0.0707
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0036	0.0748	0.201
Echinococcus multilocularis	cpg binding protein	0.0033	0.0632	0.1155
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0035	0.071	0.0828
Onchocerca volvulus	Huntingtin homolog	0.012	0.3359	0.4697
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0014	0.0044	0.008
Trypanosoma cruzi	trypanothione reductase, putative	0.0036	0.0748	0.201
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0036	0.0748	0.201
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0111	0.3065	0.3806
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0016	0.0116	0.002
Trypanosoma cruzi	trypanothione reductase, putative	0.0105	0.2875	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0587	0.0546
Trichomonas vaginalis	set domain proteins, putative	0.0242	0.7151	0.8967
Brugia malayi	glutaminase DH11.1	0.0269	0.7964	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0239	0.7044	0.8918
Plasmodium falciparum	thioredoxin reductase	0.0105	0.2875	1
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0922	0.1045
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0213	0.0388
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0019	0.0217	0.0148
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0587	0.1073
Onchocerca volvulus		0.0031	0.0578	0.0808
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0111	0.3065	0.3806
Plasmodium falciparum	thioredoxin reductase	0.0036	0.0748	0.201
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0036	0.0748	0.201
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0036	0.0748	0.5
Leishmania major	hypothetical protein, conserved	0.003	0.0566	0.1326
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0019	0.0213	0.0388
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0239	0.7044	0.8918
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0587	0.0673
Schistosoma mansoni	chromobox protein	0.0075	0.1944	0.1908
Echinococcus granulosus	chromodomain helicase DNA binding protein 4	0.0014	0.0055	0.01
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1975	0.2428
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0019	0.0217	0.0148
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0035	0.071	0.1297
Schistosoma mansoni	glutaminase	0.0269	0.7964	0.7955
Schistosoma mansoni	hypothetical protein	0.0037	0.0756	0.0715
Trichomonas vaginalis	chromobox protein, putative	0.0045	0.1021	0.1171
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0213	0.0388
Loa Loa (eye worm)	hypothetical protein	0.012	0.3359	0.4178
Schistosoma mansoni	hypothetical protein	0.0188	0.5472	0.5452
Schistosoma mansoni	cpg binding protein	0.0031	0.0578	0.0536
Onchocerca volvulus		0.0242	0.7151	1
Brugia malayi	hypothetical protein	0.012	0.3359	0.4178
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0213	0.0388
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0045	0.1021	0.1428
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0036	0.0748	0.201
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0587	0.0546

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.2387 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)	12.5893 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference

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: CHEMBL1900408

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1535727