TDR Targets

Basic information

Technical information

TDR Targets ID: 1399442
Name: STOCK2S-07203
MW: 418.554 | Formula: C24H26N4OS
H donors: 1 H acceptors: 3 LogP: 5.19 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CC(c1nc2sc3c(c2c2c1COC(C2)(C)C)ncnc3NCc1ccccc1)C
InChi: 1S/C24H26N4OS/c1-14(2)19-17-12-29-24(3,4)10-16(17)18-20-21(30-23(18)28-19)22(27-13-26-20)25-11-15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3,(H,25,26,27)
InChiKey: NFOMZWDRZVIHMF-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

Benzyl-(5-isopropyl-2,2-dimethyl-1,4-dihydro-2H-3-oxa-7-thia-6,9,11-triaza-benzo[c]fluoren-8-yl)-amine
MLS000552183
SMR000145897
ZINC01244513
Oprea1_017960

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
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 multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, 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
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, 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
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
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 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
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0027	0.0581	0.6357
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0025	0.0534	0.5834
Mycobacterium ulcerans	thioesterase TesA	0.0021	0.0405	0.443
Brugia malayi	MH1 domain containing protein	0.0008	0.0003	0.0004
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0105	0.2942	0.8924
Brugia malayi	Smad1	0.0008	0.0003	0.0004
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0016	0.0246	0.0243
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.144	0.1437
Echinococcus granulosus	regulator of G protein signaling 7	0.0009	0.0025	0.0022
Mycobacterium ulcerans	polyketide synthase Pks9	0.0017	0.0273	0.2981
Schistosoma mansoni	z-protein (S1r protein)	0.0009	0.0025	0.0022
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0016	0.0246	0.0243
Loa Loa (eye worm)	acyl carrier protein	0.0012	0.0117	0.0167
Schistosoma mansoni	hypothetical protein	0.0015	0.0228	0.0225
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0228	0.0333
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0228	0.0225
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0038	0.0914	0.2774
Toxoplasma gondii	thioredoxin reductase	0.0046	0.1157	1
Mycobacterium ulcerans	polyketide synthase	0.0027	0.0581	0.6357
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0016	0.0246	0.269
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0018	0.0317	0.096
Loa Loa (eye worm)	hypothetical protein	0.0104	0.2928	0.4269
Schistosoma mansoni	dishevelled	0.0009	0.0025	0.0022
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0228	0.0225
Mycobacterium ulcerans	fatty acid synthase Fas	0.0008	0.0005	0.0056
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.144	0.2097
Echinococcus granulosus	transcription factor eb	0.0105	0.2944	0.2942
Toxoplasma gondii	type I fatty acid synthase, putative	0.0018	0.0312	0.2532
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.1157	0.3509
Brugia malayi	MH1 domain containing protein	0.0008	0.0003	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0228	0.0329
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0016	0.0246	0.269
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0228	0.0225
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0016	0.0246	0.269
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0.0246	0.5
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0016	0.0246	0.0359
Brugia malayi	Pax transcription factor protein 2	0.0234	0.6855	1
Brugia malayi	MH2 domain containing protein	0.0116	0.3281	0.4786
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.144	0.1437
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0009	0.0025	0.0022
Echinococcus multilocularis	transcription factor eb	0.0105	0.2944	0.2942
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0105	0.2942	0.8924
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.002	0.0383	0.1148
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0025	0.0032
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0027	0.0581	0.1764
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0105	0.2942	0.8924
Echinococcus multilocularis	muscleblind protein	0.0152	0.4386	0.4384
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.3281	0.4784
Mycobacterium tuberculosis	Probable polyketide synthase Pks15	0.001	0.0075	0.0227
Loa Loa (eye worm)	fatty acid synthase	0.0025	0.0523	0.0759
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0175	0.5083	0.7405
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0027	0.0581	0.6357
Schistosoma mansoni	hypothetical protein	0.0015	0.0228	0.0225
Onchocerca volvulus	Fatty acid synthase homolog	0.0046	0.1152	0.165
Brugia malayi	Thioredoxin reductase	0.0046	0.1157	0.1687
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0024	0.0483	0.0701
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.0017	0.0273	0.0813
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0025	0.0534	0.1619
Schistosoma mansoni	dep domain containing protein	0.0009	0.0025	0.0022
Mycobacterium tuberculosis	Polyketide synthetase MbtC (polyketide synthase)	0.0009	0.0028	0.0085
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0012	0.0118	0.0172
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.144	0.1437
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.3281	0.4784
Loa Loa (eye worm)	hypothetical protein	0.0175	0.5083	0.7413
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.144	0.1437
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0048	0.1223	0.1784
Echinococcus granulosus	segment polarity protein dishevelled	0.0009	0.0025	0.0022
Brugia malayi	Muscleblind-like protein	0.0152	0.4386	0.6398
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0016	0.0246	0.1953
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.144	0.21
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.0017	0.0273	0.2981
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0027	0.0581	0.1764
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0016	0.0246	0.5
Brugia malayi	glutathione reductase	0.0046	0.1157	0.1687
Onchocerca volvulus		0.0044	0.1104	0.158
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0025	0.0534	0.5834
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0025	0.0534	0.5834
Mycobacterium tuberculosis	Probable dehydrogenase	0.0105	0.2942	0.8924
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0016	0.0246	0.0243
Treponema pallidum	NADH oxidase	0.0016	0.0246	0.5
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0016	0.0246	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0195	0.028
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.1232	0.1797
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0009	0.0025	0.0022
Brugia malayi	hypothetical protein	0.0009	0.0025	0.0036
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0116	0.3296	1
Schistosoma mansoni	regulator of G protein signaling	0.0009	0.0025	0.0022
Echinococcus multilocularis	regulator of G protein signaling 7	0.0009	0.0025	0.0022
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0025	0.0534	0.5834
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.002	0.0383	0.4188
Leishmania major	trypanothione reductase	0.0046	0.1157	1
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0009	0.0025	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0025	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0767	0.1116
Brugia malayi	hypothetical protein	0.0009	0.0025	0.0036
Schistosoma mansoni	hypothetical protein	0.0033	0.0767	0.0765
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0228	0.0225
Loa Loa (eye worm)	pax transcription factor protein 2	0.0234	0.6855	1
Echinococcus granulosus	segment polarity protein dishevelled	0.0009	0.0025	0.0022
Onchocerca volvulus		0.0024	0.0483	0.067
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0027	0.0581	0.1764
Mycobacterium ulcerans	polyketide synthase	0.0025	0.0534	0.5834
Mycobacterium leprae	Polyketide synthase Pks13	0.0038	0.0914	0.2763
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.1232	0.1797
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0024	0.0483	0.1465
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.1232	0.1794
Mycobacterium ulcerans	polyketide synthase Pks13	0.0038	0.0914	1
Echinococcus granulosus	muscleblind protein	0.0152	0.4386	0.4384
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1232	0.1794
Brugia malayi	N-terminal motif family protein	0.0175	0.5083	0.7415
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0025	0.0534	0.1605
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0025	0.051	0.1547
Loa Loa (eye worm)	hypothetical protein	0.0152	0.4386	0.6396
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0009	0.0025	0.0022
Trichomonas vaginalis	glutathione reductase, putative	0.0016	0.0246	0.5
Loa Loa (eye worm)	DIX domain-containing protein	0.0009	0.0025	0.0032
Loa Loa (eye worm)	helix-loop-helix DNA-binding domain-containing protein	0.0104	0.2928	0.4269
Plasmodium vivax	glutathione reductase, putative	0.0046	0.1157	1
Brugia malayi	MH2 domain containing protein	0.0008	0.0003	0.0004
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0228	0.0225
Echinococcus multilocularis	segment polarity protein dishevelled	0.0009	0.0025	0.0022
Trichomonas vaginalis	mercuric reductase, putative	0.0016	0.0246	0.5
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0021	0.0405	0.1215
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0014	0.0201	0.061
Schistosoma mansoni	hypothetical protein	0.0015	0.0228	0.0225
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0027	0.0581	0.1751
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0021	0.0405	0.1229
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0009	0.0025	0.0032
Toxoplasma gondii	NADPH-glutathione reductase	0.0016	0.0246	0.1953
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1057	0.1539
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0025	0.051	0.1547
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0009	0.0025	0.0036
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0016	0.0263	0.2103
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.144	0.1437
Echinococcus granulosus	GPCR family 2	0.0015	0.0228	0.0225
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0027	0.0581	0.1751
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0483	0.0704
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.144	0.1437
Brugia malayi	DIX domain containing protein	0.0009	0.0025	0.0036
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0025	0.0534	0.1605
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0021	0.0393	0.1193
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.1157	0.1684
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.1157	1
Echinococcus granulosus	regulator of G protein signaling 7	0.0009	0.0025	0.0022
Trypanosoma brucei	trypanothione reductase	0.0046	0.1157	1
Brugia malayi	Helix-loop-helix DNA-binding domain containing protein	0.0105	0.2944	0.4294
Loa Loa (eye worm)	hypothetical protein	0.0152	0.4386	0.6396
Onchocerca volvulus		0.0234	0.6855	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.1157	0.1154
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0025	0.0534	0.1619
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.1157	1
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0012	0.0118	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0025	0.0032
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.1157	0.1154
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0038	0.0914	0.2774
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0013	0.0152	0.1127
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0228	0.0333
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0116	0.3296	1
Mycobacterium ulcerans	thioesterase	0.0021	0.0405	0.443
Mycobacterium tuberculosis	Probable fatty acid synthase Fas (fatty acid synthetase)	0.0008	0.0005	0.0016
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0228	0.0329
Brugia malayi	regulator of G-protein signaling egl-10	0.0009	0.0025	0.0036
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0116	0.3296	1
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0025	0.0534	0.1619
Toxoplasma gondii	type I fatty acid synthase, putative	0.0027	0.0581	0.4917
Schistosoma mansoni	dishevelled	0.0009	0.0025	0.0022
Mycobacterium tuberculosis	Probable reductase	0.0105	0.2942	0.8924
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0105	0.2942	0.8922
Echinococcus multilocularis	segment polarity protein dishevelled	0.0009	0.0025	0.0022
Plasmodium falciparum	thioredoxin reductase	0.0046	0.1157	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0.0246	0.5
Plasmodium falciparum	glutathione reductase	0.0046	0.1157	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0105	0.2942	0.8924
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0016	0.0246	0.0746
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0025	0.0534	0.0778
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.002	0.0383	0.4188
Mycobacterium tuberculosis	Probable oxidoreductase	0.0116	0.3296	1
Schistosoma mansoni	hypothetical protein	0.0015	0.0228	0.0225
Echinococcus multilocularis	regulator of G protein signaling 7	0.0009	0.0025	0.0022
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.144	0.1437
Loa Loa (eye worm)	glutathione reductase	0.0046	0.1157	0.1684
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0767	0.1119
Brugia malayi	MH2 domain containing protein	0.0008	0.0003	0.0004
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0027	0.0581	0.1751
Echinococcus multilocularis	muscleblind protein 1	0.0152	0.4386	0.4384

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	9.285 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)	10 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.929 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)	= 89.1251 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)	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: CHEMBL1521451

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1399442