TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 416.515 | Formula: C25H28N4O2
H donors: 0 H acceptors: 3 LogP: 4.25 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CC(N(C(=O)c1ccc2c(c1)nc(o2)CCCc1ccccc1)Cc1nccn1C)C
InChi: 1S/C25H28N4O2/c1-18(2)29(17-23-26-14-15-28(23)3)25(30)20-12-13-22-21(16-20)27-24(31-22)11-7-10-19-8-5-4-6-9-19/h4-6,8-9,12-16,18H,7,10-11,17H2,1-3H3
InChiKey: UZGXIGKLVSRJEZ-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	glucagon-like peptide 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
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
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
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	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 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 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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
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	thioredoxin reductase	0.0085	0.1022	0.2521
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.003	0.0196	0.0444
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0648	0.4035
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.116	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.003	0.0196	0.1545
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0575	0.0556
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1577	1
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.116	1
Plasmodium vivax	nicotinate-nucleotide adenylyltransferase, putative	0.0287	0.3993	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0095	0.116	0.1143
Mycobacterium leprae	PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC	0.0287	0.3993	1
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0095	0.116	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0086	0.1029	0.1011
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0575	0.0556
Brugia malayi	Cytochrome P450 family protein	0.0026	0.0147	0.0931
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0699	0.068
Echinococcus granulosus	GPCR family 2	0.0019	0.004	0.002
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0367	0.2227
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0293	0.1753
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0293	0.0273
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0231	0.3172	0.794
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0293	0.0683
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.004	0.0254
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0195	0.264	0.6514
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.003	0.0196	0.1545
Echinococcus multilocularis	microtubule associated protein 2	0.0693	1	1
Mycobacterium ulcerans	bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein	0.0287	0.3993	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.011	0.0792
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.003	0.0196	0.0619
Mycobacterium tuberculosis	Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic	0.0287	0.3993	1
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0699	0.068
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.011	0.0792
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.003	0.0196	0.0444
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0293	0.0683
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.011	0.07
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.011	0.0224
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0293	0.1559
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0293	0.0683
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.003	0.0196	0.0177
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0022	0.008	0.0508
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.003	0.0196	0.1545
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.003	0.0196	0.044
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.003	0.0196	0.1759
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.011	0.0224
Plasmodium falciparum	glutathione reductase	0.0085	0.1022	0.2521
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0133	0.0723
Onchocerca volvulus	Huntingtin homolog	0.0123	0.1577	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0575	0.0556
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0021	0.0004
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0133	0.0283
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.011	0.0224
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.011	0.0224
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0293	0.0717
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0217	0.2961	0.7411
Trypanosoma cruzi	polo-like protein kinase, putative	0.0095	0.116	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0021	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0021	0.0009
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0195	0.264	0.6604
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.003	0.0196	0.0619
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0195	0.264	0.6604
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0575	0.0556
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.003	0.0196	0.0177
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0293	0.0273
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.066	0.1607
Plasmodium vivax	glutathione reductase, putative	0.0085	0.1022	0.2521
Brugia malayi	Thioredoxin reductase	0.0085	0.1022	0.648
Schistosoma mansoni	microtubule-associated protein tau	0.0693	1	1
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.003	0.0196	0.0619
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.0699	0.068
Schistosoma mansoni	hypothetical protein	0.0019	0.004	0.002
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.116	1
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1577	1
Trypanosoma brucei	polo-like protein kinase	0.0095	0.116	1
Brugia malayi	hypothetical protein	0.0123	0.1577	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.011	0.0224
Brugia malayi	beta-lactamase family protein	0.0036	0.0293	0.1857
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.004	0.0128
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0699	0.4431
Trypanosoma brucei	trypanothione reductase	0.0085	0.1022	0.865
Onchocerca volvulus	Huntingtin homolog	0.0123	0.1577	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0699	0.4359
Schistosoma mansoni	hypothetical protein	0.0019	0.004	0.002
Mycobacterium tuberculosis	Probable dehydrogenase	0.0195	0.264	0.6604
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.003	0.0196	0.044
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.003	0.0196	0.0444
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0086	0.1029	0.1011
Mycobacterium ulcerans	lipase LipD	0.0036	0.0293	0.0683
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0699	0.068
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.011	0.0792
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0699	0.068
Brugia malayi	RNA binding protein	0.0064	0.0699	0.4431
Loa Loa (eye worm)	glutathione reductase	0.0085	0.1022	0.6434
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0293	0.1753
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0293	0.0717
Treponema pallidum	hypothetical protein	0.0287	0.3993	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0021	0.0009
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.003	0.0196	0.1545
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.003	0.0196	0.5
Onchocerca volvulus		0.0036	0.0293	0.1753
Trichomonas vaginalis	esterase, putative	0.0036	0.0293	0.1002
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0293	0.1753
Brugia malayi	serine/threonine-protein kinase plk-2	0.0095	0.116	0.736
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0021	0.0009
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.066	0.0641
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0021	0.0004
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0699	0.4359
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.004	0.002
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.003	0.0196	0.1545
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0293	0.1753
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0293	0.0717
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.011	0.0259
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.004	0.002
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0095	0.116	0.7326
Trichomonas vaginalis	CAMK family protein kinase	0.0047	0.0452	0.2658
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0133	0.0987
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.0147	0.0814
Schistosoma mansoni	aldehyde dehydrogenase	0.0061	0.066	0.0641
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0293	0.1753
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.004	0.002
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.004	0.002
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0293	0.1753
Plasmodium falciparum	glutathione reductase	0.003	0.0196	0.0444
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.116	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0648	0.4111
Brugia malayi	TAR-binding protein	0.0064	0.0699	0.4431
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0293	0.0717
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0293	0.0717
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0022	0.008	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0293	0.1753
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0293	0.1002
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.003	0.0196	0.0177
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0061	0.066	0.5609
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0575	0.0556
Toxoplasma gondii	NADPH-glutathione reductase	0.003	0.0196	0.1759
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.003	0.0196	0.1545
Giardia lamblia	Kinase, PLK	0.0095	0.116	1
Mycobacterium tuberculosis	Probable reductase	0.0195	0.264	0.6604
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0293	0.0687
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0293	0.0273
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0085	0.1022	0.2545
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0293	0.1002
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0133	0.0283
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0095	0.116	1
Trypanosoma cruzi	trypanothione reductase, putative	0.003	0.0196	0.1545
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.011	0.0224
Brugia malayi	glutathione reductase	0.0085	0.1022	0.648
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0293	0.0717
Plasmodium falciparum	thioredoxin reductase	0.003	0.0196	0.0444
Echinococcus granulosus	tar DNA binding protein	0.0064	0.0699	0.068
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0061	0.066	0.0641
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.004	0.0254
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.011	0.0224
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0021	0.0036
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.003	0.0196	0.1545
Trypanosoma cruzi	polo-like protein kinase, putative	0.0095	0.116	1
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0293	0.047
Onchocerca volvulus		0.0036	0.0293	0.1753
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.011	0.0259
Toxoplasma gondii	thioredoxin reductase	0.0085	0.1022	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0085	0.1022	0.8784
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0699	0.4359
Brugia malayi	Kringle domain containing protein	0.0018	0.002	0.0127
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.011	0.07
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0367	0.2325
Onchocerca volvulus		0.0024	0.011	0.0581
Loa Loa (eye worm)	hypothetical protein	0.0019	0.004	0.0128
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0195	0.264	0.6604
Plasmodium falciparum	nicotinamide/nicotinic acid mononucleotide adenylyltransferase	0.0287	0.3993	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0367	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0024	0.011	0.0581
Echinococcus multilocularis	GPCR, family 2	0.0019	0.004	0.002
Leishmania major	hypothetical protein, conserved	0.0036	0.0293	0.2393
Schistosoma mansoni	hypothetical protein	0.0019	0.004	0.002
Loa Loa (eye worm)	thioredoxin reductase	0.0085	0.1022	0.6434
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.003	0.0196	0.1244
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0293	0.2393
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.066	0.1607
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0293	0.1857
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.003	0.0196	0.0444
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0575	0.3564
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0133	0.0283
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0061	0.066	0.1637
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0095	0.116	0.7326
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0293	0.0273
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.003	0.0196	0.0475
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.116	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0293	0.1002
Onchocerca volvulus		0.0036	0.0293	0.1753
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0293	0.1753
Loa Loa (eye worm)	hypothetical protein	0.006	0.0648	0.4035
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.011	0.07
Plasmodium vivax	thioredoxin reductase, putative	0.0085	0.1022	0.2521
Toxoplasma gondii	ABC1 family protein	0.0036	0.0293	0.2724
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0061	0.066	0.0641
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.003	0.0196	0.0619
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0095	0.116	0.1143
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0293	0.2393
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0133	0.0987
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.003	0.0196	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0293	0.1002
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0217	0.2961	0.7411
Brugia malayi	beta-lactamase	0.0036	0.0293	0.1857
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.003	0.0196	0.044
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0293	0.0683
Brugia malayi	Protein kinase domain containing protein	0.0018	0.002	0.0127
Schistosoma mansoni	hypothetical protein	0.0019	0.004	0.002
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0133	0.1124
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.003	0.0196	0.1545
Mycobacterium tuberculosis	Probable oxidoreductase	0.0217	0.2961	0.7411
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0293	0.0717
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.003	0.0196	0.1545
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0575	0.3646
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.116	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0293	0.0717
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0648	0.4111
Leishmania major	hypothetical protein, conserved	0.0025	0.0133	0.0987
Toxoplasma gondii	aldehyde dehydrogenase	0.0061	0.066	0.6386
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.003	0.0196	0.1545
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0217	0.2961	0.7342
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0575	0.0556
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0575	0.0556
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0699	0.068
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.116	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0293	0.0717
Loa Loa (eye worm)	hypothetical protein	0.0024	0.011	0.0581
Schistosoma mansoni	serine/threonine protein kinase	0.0095	0.116	0.1143
Schistosoma mansoni	kinase	0.0048	0.0471	0.0452
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0195	0.264	0.6604
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0293	0.0717
Trichomonas vaginalis	CAMK family protein kinase	0.0047	0.0452	0.2658
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0061	0.066	0.1607
Brugia malayi	beta-lactamase family protein	0.0036	0.0293	0.1857
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.003	0.0196	0.1545
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.003	0.0196	0.1545
Mycobacterium ulcerans	hypothetical protein	0.0024	0.011	0.0224
Leishmania major	trypanothione reductase	0.0085	0.1022	0.8784
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0293	0.047
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0293	0.1002
Brugia malayi	hypothetical protein	0.0025	0.0133	0.0841
Loa Loa (eye worm)	hypothetical protein	0.0024	0.011	0.0581
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.003	0.0196	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0021	0.0009

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 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)	23.1093 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 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
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

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: CHEMBL1735873

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1543584