TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 454.557 | Formula: C23H38N2O7
H donors: 3 H acceptors: 5 LogP: 1.38 Rotable bonds: 20
Rule of 5 violations (Lipinski): 1
SMILES: C=CC[C@H](C(=O)N[C@@H](COC(=O)[C@H](CC(=O)OC(C)(C)C)CC=C)C)CC(=O)NCCO
InChi: 1S/C23H38N2O7/c1-7-9-17(13-19(27)24-11-12-26)21(29)25-16(3)15-31-22(30)18(10-8-2)14-20(28)32-23(4,5)6/h7-8,16-18,26H,1-2,9-15H2,3-6H3,(H,24,27)(H,25,29)/t16-,17+,18+/m1/s1
InChiKey: SFPOWVLZSOTFNZ-SQNIBIBYSA-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.018	0.1706	0.1688
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.018	0.1706	0.1688
Loa Loa (eye worm)	thioredoxin reductase	0.0061	0.0473	0.0838
Echinococcus multilocularis	g protein coupled receptor	0.018	0.1706	0.1688
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 17	0.0018	0.0022	0.0107
Loa Loa (eye worm)	neuropeptide F receptor	0.018	0.1706	0.3134
Echinococcus multilocularis	neuropeptide Y receptor	0.018	0.1706	0.1688
Schistosoma mansoni	neuropeptide F-like receptor	0.018	0.1706	0.1911
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0021	0.0058	0.0798
Onchocerca volvulus		0.018	0.1706	0.8102
Echinococcus multilocularis	rhodopsin orphan GPCR	0.018	0.1706	0.1688
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0021	0.0058	0.5
Loa Loa (eye worm)	TYRA-2 protein	0.018	0.1706	0.3134
Echinococcus granulosus	allatostatin A receptor	0.018	0.1706	0.3134
Echinococcus granulosus	peptide allatostatin:somatostatin	0.018	0.1706	0.3134
Echinococcus multilocularis	g-protein coupled receptor	0.018	0.1706	0.1688
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.018	0.1706	0.1688
Mycobacterium tuberculosis	Probable oxidoreductase	0.0021	0.0058	0.0798
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0018	0.0022	0.0107
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Schistosoma mansoni	calcium-activated potassium channel	0.0346	0.3424	0.3861
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0021	0.0058	0.0798
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0021	0.0058	0.0798
Brugia malayi	Dopamine receptor protein 2	0.018	0.1706	0.8122
Echinococcus granulosus	neuropeptide s receptor	0.018	0.1706	0.3134
Schistosoma mansoni	biogenic amine receptor	0.018	0.1706	0.1911
Echinococcus multilocularis	small conductance calcium activated potassium	0.0535	0.5395	0.5385
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0021	0.0058	1
Echinococcus granulosus	neuropeptide Y receptor	0.018	0.1706	0.3134
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.018	0.1706	0.1911
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0021	0.0058	0.0036
Onchocerca volvulus		0.018	0.1706	0.8102
Schistosoma mansoni	hypothetical protein	0.018	0.1706	0.1911
Brugia malayi	putative neuropeptide receptor	0.018	0.1706	0.8122
Loa Loa (eye worm)	melatonin receptor type 1A	0.018	0.1706	0.3134
Schistosoma mansoni	biogenic amine (5HT) receptor	0.018	0.1706	0.1911
Echinococcus multilocularis	allatostatin A receptor	0.018	0.1706	0.1688
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.018	0.1706	0.1688
Echinococcus granulosus	g protein coupled receptor	0.018	0.1706	0.3134
Brugia malayi	Tachykinin-like peptides receptor 99D	0.018	0.1706	0.8122
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.018	0.1706	0.8122
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0021	0.0058	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.018	0.1706	0.1688
Echinococcus multilocularis	g protein coupled receptor	0.018	0.1706	0.1688
Schistosoma mansoni	biogenic amine receptor	0.018	0.1706	0.1911
Echinococcus granulosus	neuropeptide receptor A26	0.018	0.1706	0.3134
Echinococcus granulosus	rhodopsin orphan GPCR	0.018	0.1706	0.3134
Toxoplasma gondii	NADPH-glutathione reductase	0.0021	0.0058	0.0798
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.018	0.1706	0.1911
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.018	0.1706	0.1911
Onchocerca volvulus		0.018	0.1706	0.8102
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0021	0.0058	0.0798
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0021	0.0058	0.5
Onchocerca volvulus		0.018	0.1706	0.8102
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.018	0.1706	0.1911
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0018	0.0022	0.0107
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.018	0.1706	0.1911
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0412	0.0725
Echinococcus multilocularis	g protein coupled receptor	0.018	0.1706	0.1688
Schistosoma mansoni	neuropeptide receptor	0.018	0.1706	0.1911
Schistosoma mansoni	neuropeptide f receptor 76f	0.018	0.1706	0.1911
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0412	0.0442
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Echinococcus granulosus	g protein coupled receptor	0.018	0.1706	0.3134
Brugia malayi	AKH receptor	0.018	0.1706	0.8122
Schistosoma mansoni	hypothetical protein	0.018	0.1706	0.1911
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0021	0.0058	0.0798
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.018	0.1706	0.8122
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.018	0.1706	0.8102
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.018	0.1706	0.3134
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0022	0.0071	1
Onchocerca volvulus		0.018	0.1706	0.8102
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0021	0.0058	0.0798
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 21	0.0018	0.0022	0.0107
Schistosoma mansoni	growth hormone secretagogue receptor	0.018	0.1706	0.1911
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Echinococcus granulosus	hypothetical protein	0.018	0.1706	0.3134
Echinococcus granulosus	rhodopsin orphan GPCR	0.018	0.1706	0.3134
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0022	0.0071	1
Echinococcus granulosus	g-protein coupled receptor	0.018	0.1706	0.3134
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0412	0.0442
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0412	0.0442
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Onchocerca volvulus		0.018	0.1706	0.8102
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.018	0.1706	0.3134
Echinococcus multilocularis	rhodopsin orphan GPCR	0.018	0.1706	0.1688
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Onchocerca volvulus		0.018	0.1706	0.8102
Schistosoma mansoni	opsin-like receptor	0.018	0.1706	0.1911
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0022	0.0071	1
Echinococcus granulosus	G protein coupled receptor 139	0.018	0.1706	0.3134
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 28	0.0018	0.0022	0.0107
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Brugia malayi	MH2 domain containing protein	0.0144	0.1335	0.6353
Loa Loa (eye worm)	hypothetical protein	0.0172	0.1626	0.2985
Onchocerca volvulus		0.018	0.1706	0.8102
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0021	0.0058	0.0798
Echinococcus granulosus	somatostatin receptor	0.018	0.1706	0.3134
Loa Loa (eye worm)	hypothetical protein	0.0432	0.4326	0.801
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Echinococcus granulosus	neuropeptides capa receptor	0.018	0.1706	0.3134
Echinococcus multilocularis	somatostatin receptor	0.018	0.1706	0.1688
Schistosoma mansoni	opsin-like receptor	0.018	0.1706	0.1911
Brugia malayi	hypothetical protein	0.0018	0.0022	0.0107
Plasmodium falciparum	thioredoxin reductase	0.0021	0.0058	0.0798
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.018	0.1706	0.3134
Brugia malayi	hypothetical protein	0.018	0.1706	0.8122
Brugia malayi	sulfakinin receptor protein	0.018	0.1706	0.8122
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.018	0.1706	0.1911
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Schistosoma mansoni	histamine h1 receptor	0.018	0.1706	0.1911
Schistosoma mansoni	opsin-like receptor	0.018	0.1706	0.1911
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Schistosoma mansoni	neuropeptide receptor	0.018	0.1706	0.1911
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0021	0.0058	0.0798
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Echinococcus multilocularis	dro:myosuppressin receptor	0.018	0.1706	0.1688
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.018	0.1706	0.1911
Echinococcus granulosus	rhodopsin orphan GPCR	0.018	0.1706	0.3134
Echinococcus granulosus	tm gpcr rhodopsin	0.018	0.1706	0.3134
Loa Loa (eye worm)	G-protein coupled receptor	0.018	0.1706	0.3134
Echinococcus multilocularis	rhodopsin orphan GPCR	0.018	0.1706	0.1688
Echinococcus granulosus	neuropeptide receptor	0.018	0.1706	0.3134
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Loa Loa (eye worm)	hypothetical protein	0.0163	0.1534	0.2814
Echinococcus granulosus	sex peptide receptor	0.018	0.1706	0.3134
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Toxoplasma gondii	thioredoxin reductase	0.0061	0.0473	1
Brugia malayi	glutathione reductase	0.0061	0.0473	0.2249
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.018	0.1706	0.8122
Brugia malayi	neuropeptide F receptor	0.018	0.1706	0.8122
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.018	0.1706	0.1688
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0218	0.2101	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.018	0.1706	0.3134
Loa Loa (eye worm)	G-protein coupled receptor	0.018	0.1706	0.3134
Treponema pallidum	NADH oxidase	0.0021	0.0058	0.5
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0021	0.0058	0.0798
Trypanosoma cruzi	trypanothione reductase, putative	0.0021	0.0058	0.0798
Schistosoma mansoni	neuropeptide receptor	0.018	0.1706	0.1911
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.018	0.1706	0.1688
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0021	0.0058	0.0067
Brugia malayi	neuropeptide F receptor	0.018	0.1706	0.8122
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 13	0.0018	0.0022	0.0107
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0021	0.0058	0.0798
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0021	0.0058	0.0798
Echinococcus granulosus	tachykinin peptides receptor 99D	0.018	0.1706	0.3134
Brugia malayi	hypothetical protein	0.018	0.1706	0.8122
Echinococcus multilocularis	neuropeptides capa receptor	0.018	0.1706	0.1688
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Plasmodium falciparum	thioredoxin reductase	0.0061	0.0473	1
Echinococcus multilocularis	neuropeptide receptor A26	0.018	0.1706	0.1688
Brugia malayi	G protein-coupled receptor	0.018	0.1706	0.8122
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Onchocerca volvulus	Neuropeptide F receptor homolog	0.018	0.1706	0.8102
Schistosoma mansoni	alpha-1 adrenergic receptor	0.018	0.1706	0.1911
Brugia malayi	G-protein coupled receptor	0.018	0.1706	0.8122
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 7	0.0018	0.0022	0.0107
Echinococcus granulosus	biogenic amine 5HT receptor	0.018	0.1706	0.3134
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0412	0.0725
Schistosoma mansoni	hypothetical protein	0.0205	0.1962	0.2202
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.018	0.1706	0.1688
Echinococcus granulosus	dro:myosuppressin receptor	0.018	0.1706	0.3134
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 35	0.0018	0.0022	0.0107
Onchocerca volvulus		0.018	0.1706	0.8102
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0021	0.0058	0.0798
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0061	0.0473	1
Echinococcus multilocularis	neuropeptides capa receptor	0.018	0.1706	0.1688
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0022	0.0071	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39B	0.0018	0.0022	0.0107
Echinococcus granulosus	small conductance calcium activated potassium	0.0535	0.5395	1
Brugia malayi	hypothetical protein	0.018	0.1706	0.8122
Schistosoma mansoni	hypothetical protein	0.018	0.1706	0.1911
Loa Loa (eye worm)	hypothetical protein	0.0535	0.5395	1
Echinococcus multilocularis	G protein coupled receptor 139	0.018	0.1706	0.1688
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 24	0.0018	0.0022	0.0107
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0021	0.0058	1
Echinococcus multilocularis	serotonin receptor	0.0432	0.4326	0.4313
Echinococcus granulosus	rhodopsin orphan GPCR	0.018	0.1706	0.3134
Trichomonas vaginalis	glutathione reductase, putative	0.0021	0.0058	0.7352
Echinococcus multilocularis	orexin receptor type 2	0.018	0.1706	0.1688
Brugia malayi	Melatonin receptor type 1A	0.018	0.1706	0.8122
Loa Loa (eye worm)	hypothetical protein	0.0432	0.4326	0.801
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0021	0.0058	0.0278
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0021	0.0058	0.0798
Echinococcus granulosus	serotonin receptor	0.018	0.1706	0.3134
Brugia malayi	hypothetical protein	0.018	0.1706	0.8122
Onchocerca volvulus		0.018	0.1706	0.8102
Echinococcus multilocularis	fmrfamide receptor	0.018	0.1706	0.1688
Echinococcus granulosus	g protein coupled receptor	0.018	0.1706	0.3134
Onchocerca volvulus		0.018	0.1706	0.8102
Echinococcus multilocularis	rhodopsin orphan GPCR	0.018	0.1706	0.1688
Echinococcus granulosus	orexin receptor type 2	0.018	0.1706	0.3134
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.1335	0.2443
Trypanosoma brucei	trypanothione reductase	0.0061	0.0473	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0061	0.0473	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 12	0.0018	0.0022	0.0107
Brugia malayi	GnHR receptor homolog	0.018	0.1706	0.8122
Schistosoma mansoni	hypothetical protein	0.0535	0.5395	0.6098
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Plasmodium falciparum	glutathione reductase	0.0021	0.0058	0.0798
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.018	0.1706	0.1911
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0021	0.0058	0.0798
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.018	0.1706	0.1911
Leishmania major	trypanothione reductase	0.0061	0.0473	1
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.018	0.1706	0.3134
Plasmodium falciparum	glutathione reductase	0.0061	0.0473	1
Onchocerca volvulus		0.018	0.1706	0.8102
Brugia malayi	Dopamine receptor protein 1	0.018	0.1706	0.8122
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 45	0.0018	0.0022	0.0107
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0021	0.0058	0.0798
Brugia malayi	hypothetical protein	0.018	0.1706	0.8122
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.018	0.1706	0.1688
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0021	0.0058	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 5	0.0018	0.0022	0.0107
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0412	0.039
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0021	0.0058	0.0798
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.018	0.1706	0.1688
Echinococcus granulosus	tm gpcr rhodopsin	0.018	0.1706	0.3134
Echinococcus multilocularis	G-protein coupled receptor, putative	0.018	0.1706	0.1688
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Echinococcus multilocularis	neuropeptide receptor	0.018	0.1706	0.1688
Brugia malayi	hypothetical protein	0.018	0.1706	0.8122
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.018	0.1706	0.1688
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0021	0.0058	0.0798
Brugia malayi	N-terminal motif family protein	0.0218	0.2101	1
Loa Loa (eye worm)	neuropeptide F receptor	0.018	0.1706	0.3134
Brugia malayi	hypothetical protein	0.0018	0.0022	0.0107
Schistosoma mansoni	neuropeptide receptor	0.018	0.1706	0.1911
Echinococcus granulosus	neuropeptide Y receptor	0.018	0.1706	0.3134
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.018	0.1706	0.3134
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.018	0.1706	0.1911
Onchocerca volvulus		0.018	0.1706	0.8102
Schistosoma mansoni	hypothetical protein	0.0205	0.1962	0.2202
Echinococcus multilocularis	neuropeptide FF receptor 2	0.018	0.1706	0.1688
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog	0.0018	0.0022	0.0107
Brugia malayi	RE15519p	0.018	0.1706	0.8122
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.018	0.1706	0.1911
Plasmodium vivax	thioredoxin reductase, putative	0.0061	0.0473	1
Brugia malayi	G protein-coupled receptor F59B2.13	0.018	0.1706	0.8122
Schistosoma mansoni	adenoreceptor	0.018	0.1706	0.1911
Loa Loa (eye worm)	hypothetical protein	0.0218	0.2101	0.3869
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0412	0.0725
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.018	0.1706	0.1911
Echinococcus multilocularis	rhodopsin orphan GPCR	0.018	0.1706	0.1688
Echinococcus multilocularis	serotonin receptor	0.0432	0.4326	0.4313
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0021	0.0058	0.0798
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0021	0.0058	0.0798
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog	0.0018	0.0022	0.0107
Schistosoma mansoni	calcium-activated potassium channel	0.0535	0.5395	0.6098
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Schistosoma mansoni	neuropeptide F-like receptor	0.018	0.1706	0.1911
Brugia malayi	putative neuropeptide receptor NPR1	0.018	0.1706	0.8122
Echinococcus granulosus	thioredoxin glutathione reductase	0.0061	0.0473	0.0838
Echinococcus granulosus	neuropeptide FF receptor 2	0.018	0.1706	0.3134
Echinococcus multilocularis	neuropeptide s receptor	0.018	0.1706	0.1688
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0061	0.0473	0.0451
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.018	0.1706	0.3134
Echinococcus granulosus	geminin	0.0205	0.1962	0.361
Echinococcus multilocularis	rhodopsin orphan GPCR	0.018	0.1706	0.1688
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Trichomonas vaginalis	mercuric reductase, putative	0.0021	0.0058	0.7352
Onchocerca volvulus		0.018	0.1706	0.8102
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.018	0.1706	0.1911
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.018	0.1706	0.1911
Schistosoma mansoni	amine GPCR	0.018	0.1706	0.1911
Echinococcus granulosus	rhodopsin orphan GPCR	0.018	0.1706	0.3134
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0412	0.039
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0021	0.0058	0.0798
Schistosoma mansoni	myosin xvIII	0.018	0.1706	0.1911
Brugia malayi	Thioredoxin reductase	0.0061	0.0473	0.2249
Echinococcus granulosus	alpha 1A adrenergic receptor	0.018	0.1706	0.3134
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.018	0.1706	0.1911
Echinococcus multilocularis	rhodopsin orphan GPCR	0.018	0.1706	0.1688
Brugia malayi	Serotonin receptor	0.018	0.1706	0.8122
Echinococcus multilocularis	sex peptide receptor	0.018	0.1706	0.1688
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.018	0.1706	0.3134
Echinococcus multilocularis	geminin	0.0205	0.1962	0.1944
Echinococcus granulosus	biogenic amine 5HT receptor	0.0432	0.4326	0.801
Echinococcus granulosus	neuropeptide receptor	0.018	0.1706	0.3134
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0021	0.0058	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.018	0.1706	0.1911
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.018	0.1706	0.3134
Echinococcus multilocularis	neuropeptide receptor	0.018	0.1706	0.1688
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0021	0.0058	0.0798
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.018	0.1706	0.1688
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39A	0.0018	0.0022	0.0107
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.018	0.1706	0.3134
Brugia malayi	hypothetical protein	0.018	0.1706	0.8122
Loa Loa (eye worm)	hypothetical protein	0.0182	0.1728	0.3175
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.018	0.1706	0.1911
Schistosoma mansoni	hypothetical protein	0.018	0.1706	0.1911
Brugia malayi	ORL1-like opioid receptor	0.018	0.1706	0.8122
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Echinococcus granulosus	fmrfamide receptor	0.018	0.1706	0.3134
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Echinococcus granulosus	7tm_1 domain containing protein	0.018	0.1706	0.3134
Onchocerca volvulus		0.018	0.1706	0.8102
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.018	0.1706	0.1911
Echinococcus granulosus	neuropeptides capa receptor	0.018	0.1706	0.3134
Echinococcus multilocularis	fmrfamide receptor	0.018	0.1706	0.1688
Schistosoma mansoni	amine GPCR	0.018	0.1706	0.1911
Brugia malayi	Twik (KCNK-like) family of potasium channels, alpha subunit 40	0.0018	0.0022	0.0107
Schistosoma mansoni	amine GPCR	0.018	0.1706	0.1911
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0412	0.196
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.018	0.1706	0.3134
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0021	0.0058	0.0041
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0432	0.4326	0.4885
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Echinococcus granulosus	tm gpcr rhodopsin	0.018	0.1706	0.3134
Brugia malayi	larval opioid receptor	0.018	0.1706	0.8122
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0021	0.0058	0.0798
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.018	0.1706	0.1911
Schistosoma mansoni	amine GPCR	0.018	0.1706	0.1911
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.1335	0.2443
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0021	0.0058	0.0798
Brugia malayi	Serotonin receptor	0.018	0.1706	0.8122
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.018	0.1706	0.1911
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.018	0.1706	0.1688
Loa Loa (eye worm)	glutathione reductase	0.0061	0.0473	0.0838
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.018	0.1706	0.1911
Echinococcus multilocularis	rhodopsin orphan GPCR	0.018	0.1706	0.1688
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0021	0.0058	0.0798
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.018	0.1706	0.8122
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Echinococcus granulosus	7TM GPCR rhodopsin	0.018	0.1706	0.3134
Brugia malayi	hypothetical protein	0.018	0.1706	0.8122
Brugia malayi	G-protein coupled receptor	0.018	0.1706	0.8122
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0021	0.0058	0.5
Brugia malayi	Dopamine receptor	0.018	0.1706	0.8122
Brugia malayi	hypothetical protein	0.018	0.1706	0.8122
Onchocerca volvulus		0.018	0.1706	0.8102
Plasmodium vivax	glutathione reductase, putative	0.0061	0.0473	1
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.018	0.1706	0.1688
Schistosoma mansoni	biogenic amine receptor	0.018	0.1706	0.1911
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.018	0.1706	0.3134
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Entamoeba histolytica	calcium-gated potassium channel protein, putative	0.0018	0.0022	0.5
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.018	0.1706	0.8122
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Schistosoma mansoni	amine GPCR	0.0867	0.8832	1
Echinococcus multilocularis	neuropeptide Y receptor	0.018	0.1706	0.1688
Brugia malayi	hypothetical protein	0.018	0.1706	0.8122
Echinococcus granulosus	rhodopsin orphan GPCR	0.018	0.1706	0.3134
Loa Loa (eye worm)	hypothetical protein	0.018	0.1706	0.3134
Onchocerca volvulus		0.018	0.1706	0.8102
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.018	0.1706	0.1911
Brugia malayi	follicle stimulating hormone receptor	0.018	0.1706	0.8122

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.9093 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)	23.1093 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	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: CHEMBL2142108

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 1702072