TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 534.597 | Formula: C30H32F2N4O3
H donors: 0 H acceptors: 3 LogP: 4.46 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: COc1cccc(c1)c1c(=O)n(C[C@H](N(CCc2ccccn2)C)C)c(=O)n(c1C)Cc1c(F)cccc1F
InChi: 1S/C30H32F2N4O3/c1-20(34(3)16-14-23-10-5-6-15-33-23)18-36-29(37)28(22-9-7-11-24(17-22)39-4)21(2)35(30(36)38)19-25-26(31)12-8-13-27(25)32/h5-13,15,17,20H,14,16,18-19H2,1-4H3/t20-/m1/s1
InChiKey: OFKJZTZWKLEUHT-HXUWFJFHSA-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	gonadotropin-releasing hormone receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	GnHR receptor homolog	Get druggable targets OG5_131719	All targets in OG5_131719

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0128	0.0565	0.1013
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0019	0.0056
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0128	0.0565	0.1013
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0021	0.0026	0.0046
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0017	0.0006	0.0011
Echinococcus multilocularis	cysteine protease	0.0017	0.0006	0.0011
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0006	0.0018
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0157	0.0281
Echinococcus multilocularis	serotonin transporter	0.0756	0.3721	0.6668
Brugia malayi	transcriptional regulator, Sir2 family protein	0.0147	0.0659	0.0909
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0565	0.1013
Loa Loa (eye worm)	fibroinase	0.0017	0.0006	0.0011
Plasmodium vivax	vivapain-2	0.0017	0.0006	0.0011
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.002	0.0019	0.0033
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0248	0.0444
Plasmodium vivax	vivapain-2	0.0017	0.0006	0.0011
Schistosoma mansoni	calpain (C02 family)	0.0021	0.0026	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0565	0.1013
Brugia malayi	Isocitrate dehydrogenase	0.1126	0.5581	0.7701
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0128	0.0565	0.1013
Loa Loa (eye worm)	sirtuin 4	0.0147	0.0659	0.118
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.0248	0.0444
Echinococcus granulosus	regulator of G protein signaling 3	0.002	0.0019	0.0033
Trypanosoma cruzi	major cysteine proteinase, putative	0.0051	0.0177	0.0318
Entamoeba histolytica	hypothetical protein	0.002	0.0019	0.0056
Mycobacterium ulcerans	NAD-dependent deacetylase	0.0147	0.0659	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0019	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0179	0.032
Trypanosoma cruzi	Silent information regulator 2 related protein 1	0.0681	0.3345	0.5995
Echinococcus multilocularis	calpain 7 (C02 family)	0.0021	0.0026	0.0046
Loa Loa (eye worm)	transcriptional regulator	0.0147	0.0659	0.118
Schistosoma mansoni	sodium/chloride dependent transporter	0.0128	0.0565	0.1013
Loa Loa (eye worm)	isocitrate dehydrogenase gamma subunit	0.0137	0.0608	0.1089
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.0067	0.0258	0.0463
Onchocerca volvulus		0.0017	0.0006	0.0006
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.1126	0.5581	1
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0019	0.0056
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0058	0.0212	0.0381
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0006	0.0011
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0021	0.0026	0.0046
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0248	0.0444
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0006	0.0018
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0128	0.0565	0.1013
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.0248	0.0444
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0506	0.2465	0.7369
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.1126	0.5581	1
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0019	0.0056
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0128	0.0565	0.1013
Leishmania major	telomerase reverse transcriptase, putative	0.0548	0.2673	0.4791
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0021	0.0026	0.0046
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0128	0.0565	0.1013
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.002	0.0019	0.0033
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0006	0.0018
Schistosoma mansoni	regulator of G protein signaling	0.002	0.0019	0.0033
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0006	0.0018
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0006	0.0018
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0157	0.0281
Trypanosoma cruzi	Silent information regulator 2 related protein 3	0.0147	0.0659	0.118
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0006	0.0018
Leishmania major	cysteine peptidase A (CPA)	0.0017	0.0006	0.0011
Leishmania major	sir2-family protein-like protein	0.0147	0.0659	0.118
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0006	0.0009
Plasmodium vivax	NAD-dependent deacetylase, putative	0.0147	0.0659	0.118
Loa Loa (eye worm)	transcriptional regulator	0.0147	0.0659	0.118
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.1126	0.5581	1
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0565	0.1013
Loa Loa (eye worm)	hypothetical protein	0.0756	0.3721	0.6668
Brugia malayi	calpain 7	0.0021	0.0026	0.0036
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0056	0.02	0.0358
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0248	0.0444
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0128	0.0565	0.1013
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0248	0.0444
Brugia malayi	Isocitrate dehydrogenase subunit gamma, mitochondrial precursor	0.0137	0.0608	0.0839
Trypanosoma brucei	SIR2-like protein 4, putative	0.0147	0.0659	0.118
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0017	0.0006	0.0011
Onchocerca volvulus		0.0128	0.0565	0.0565
Trypanosoma cruzi	cruzipain precursor, putative	0.0065	0.0248	0.0444
Leishmania major	cathepsin L-like protease	0.0065	0.0248	0.0444
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0248	0.0444
Toxoplasma gondii	isocitrate dehydrogenase	0.1126	0.5581	1
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0006	0.0018
Leishmania major	cathepsin L-like protease	0.0017	0.0006	0.0011
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0248	0.0444
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0756	0.3721	0.5135
Schistosoma mansoni	calpain-7 (C02 family)	0.0021	0.0026	0.0046
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0019	0.0056
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.1126	0.5581	1
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.1126	0.5581	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0006	0.0018
Echinococcus granulosus	NAD dependent deacetylase sirtuin 6	0.0147	0.0659	0.118
Mycobacterium tuberculosis	Possible exported protein	0.0511	0.2488	0.4458
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.002	0.0019	0.0056
Brugia malayi	isocitrate dehydrogenase [NAD] subunit beta, mitochondrial	0.0137	0.0608	0.0839
Echinococcus multilocularis	beta adrenergic receptor kinase	0.002	0.0019	0.0033
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0017	0.0006	0.0011
Giardia lamblia	Telomerase catalytic subunit	0.0548	0.2673	0.7991
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0019	0.0056
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0147	0.0659	0.1969
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 6	0.0147	0.0659	0.118
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0128	0.0565	0.078
Leishmania major	cathepsin L-like protease	0.0017	0.0006	0.0011
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0006	0.0018
Wolbachia endosymbiont of Brugia malayi	isocitrate dehydrogenase	0.0137	0.0608	0.5
Leishmania major	cathepsin L-like protease	0.0065	0.0248	0.0444
Toxoplasma gondii	histone deacetylase SIR2-like	0.0147	0.0659	0.118
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.1126	0.5581	1
Echinococcus granulosus	isocitrate dehydrogenase NAD subunit	0.0137	0.0608	0.1089
Trypanosoma cruzi	cysteine peptidase, putative	0.0017	0.0006	0.0011
Loa Loa (eye worm)	hypothetical protein	0.002	0.0019	0.0033
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0021	0.0026	0.0046
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0067	0.0258	0.0463
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0006	0.0018
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0128	0.0565	0.1013
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0006	0.0006
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0006	0.0018
Echinococcus multilocularis	calpain 5	0.0021	0.0026	0.0046
Onchocerca volvulus		0.0017	0.0006	0.0006
Loa Loa (eye worm)	ctsf protein	0.0017	0.0006	0.0011
Schistosoma mansoni	axis inhibition protein axin	0.002	0.0019	0.0033
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0021	0.0026	0.0046
Onchocerca volvulus		0.0035	0.0094	0.0094
Giardia lamblia	Hypothetical protein	0.0681	0.3345	1
Schistosoma mansoni	isocitrate dehydrogenase	0.0137	0.0608	0.1089
Schistosoma mansoni	chromatin regulatory protein sir2	0.0681	0.3345	0.5995
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0147	0.0659	0.1969
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.002	0.0019	0.0033
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0017	0.0006	0.0011
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0147	0.0659	0.1969
Schistosoma mansoni	unc-13 (munc13)	0.0137	0.0608	0.1089
Loa Loa (eye worm)	hypothetical protein	0.0756	0.3721	0.6668
Echinococcus granulosus	regulator of G protein signaling 3	0.002	0.0019	0.0033
Brugia malayi	GnHR receptor homolog	0.0558	0.2727	0.3763
Entamoeba histolytica	tartrate dehydrogenase, putative	0.0137	0.0608	0.1817
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0128	0.0565	0.1013
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.1126	0.5581	1
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.0067	0.0258	0.0463
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0681	0.3345	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0006	0.0018
Echinococcus granulosus	sodium and chloride dependent glycine	0.0128	0.0565	0.1013
Schistosoma mansoni	serine/threonine protein kinase	0.002	0.0019	0.0033
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.0006	0.0009
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0506	0.2465	0.7369
Echinococcus granulosus	beta-adrenergic receptor kinase	0.002	0.0019	0.0033
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 3	0.0681	0.3345	0.5995
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0006	0.0018
Schistosoma mansoni	chromatin regulatory protein sir2	0.0506	0.2465	0.4418
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0021	0.0026	0.0046
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0128	0.0565	0.1013
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0067	0.0258	0.0463
Loa Loa (eye worm)	isocitrate dehydrogenase	0.1126	0.5581	1
Leishmania major	cathepsin L-like protease	0.0017	0.0006	0.0011
Schistosoma mansoni	sodium/chloride dependent transporter	0.0128	0.0565	0.1013
Echinococcus granulosus	expressed protein	0.0381	0.1835	0.3288
Plasmodium vivax	amine transporter, putative	0.0128	0.0565	0.1013
Brugia malayi	hypothetical protein	0.0051	0.0179	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0565	0.1013
Brugia malayi	prolyl oligopeptidase family protein	0.0067	0.0258	0.0357
Schistosoma mansoni	chromatin regulatory protein sir2	0.0681	0.3345	0.5995
Echinococcus granulosus	regulator of G protein signaling 7	0.002	0.0019	0.0033
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0006	0.0018
Schistosoma mansoni	Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial	0.0137	0.0608	0.1089
Echinococcus multilocularis	axis inhibition protein axin	0.002	0.0019	0.0033
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0756	0.3721	0.6668
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0128	0.0565	0.1013
Leishmania major	isocitrate dehydrogenase, putative	0.0137	0.0608	0.1089
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0506	0.2465	0.7369
Loa Loa (eye worm)	transcriptional regulator	0.0681	0.3345	0.5995
Mycobacterium tuberculosis	Probable 3-isopropylmalate dehydrogenase LeuB (beta-IPM dehydrogenase) (IMDH) (3-IPM-DH)	0.0137	0.0608	0.1089
Schistosoma mansoni	chromatin regulatory protein sir2	0.0681	0.3345	0.5995
Schistosoma mansoni	sodium/chloride dependent transporter	0.0756	0.3721	0.6668
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0021	0.0026	0.0046
Trypanosoma brucei	calpain-like protein, putative	0.0021	0.0026	0.0046
Giardia lamblia	Sirtuin type 2	0.0147	0.0659	0.1969
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.1126	0.5581	1
Echinococcus granulosus	isocitrate dehydrogenase NAD	0.0137	0.0608	0.1089
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.02	0.0926	0.1659
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0006	0.0018
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0067	0.0258	0.0463
Leishmania major	NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe	0.0147	0.0659	0.118
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0565	0.1013
Onchocerca volvulus		0.0017	0.0006	0.0006
Echinococcus granulosus	calpain A	0.0021	0.0026	0.0046
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0128	0.0565	0.1013
Trypanosoma brucei	Silent information regulator 2 related protein 3	0.0147	0.0659	0.118
Echinococcus multilocularis	isocitrate dehydrogenase (NAD+)	0.0137	0.0608	0.1089
Leishmania major	cathepsin L-like protease	0.0017	0.0006	0.0011
Entamoeba histolytica	hypothetical protein, conserved	0.0147	0.0659	0.1969
Echinococcus granulosus	regulator of G protein signaling 7	0.002	0.0019	0.0033
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0128	0.0565	0.078
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0006	0.0018
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0681	0.3345	1
Echinococcus multilocularis	calpain family protein 1, d	0.0041	0.0126	0.0226
Toxoplasma gondii	hypothetical protein	0.0128	0.0565	0.1013
Schistosoma mansoni	chromatin regulatory protein sir2	0.0147	0.0659	0.118
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0248	0.0444
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0059	0.0219	0.0393
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0058	0.0212	0.0381
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0019	0.0056
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0006	0.0018
Echinococcus multilocularis	calpain A	0.0058	0.0212	0.0381
Mycobacterium ulcerans	Sir2-like regulatory protein	0.0147	0.0659	1
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.002	0.0019	0.0033
Trypanosoma brucei	telomerase reverse transcriptase	0.0548	0.2673	0.4791
Echinococcus multilocularis	axis inhibition protein axin	0.002	0.0019	0.0033
Echinococcus granulosus	chromatin regulatory protein sir2	0.0681	0.3345	0.5995
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.02	0.0926	0.0926
Toxoplasma gondii	hypothetical protein	0.0128	0.0565	0.1013
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0006	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0137	0.0608	0.1089
Leishmania major	cathepsin L-like protease	0.0017	0.0006	0.0011
Loa Loa (eye worm)	hypothetical protein	0.002	0.0019	0.0033
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0128	0.0565	0.1013
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0006	0.0018
Brugia malayi	hypothetical protein	0.002	0.0019	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0168	0.0301
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0006	0.0018
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0157	0.0281
Schistosoma mansoni	regulator of G protein signaling	0.002	0.0019	0.0033
Echinococcus multilocularis	regulator of G protein signaling 7	0.002	0.0019	0.0033
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0157	0.0281
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0021	0.0026	0.0046
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0006	0.0009
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.002	0.0019	0.0033
Trypanosoma cruzi	Silent information regulator 2 related protein 1	0.0681	0.3345	0.5995
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.1126	0.5581	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0006	0.0009
Plasmodium falciparum	transcriptional regulatory protein sir2b	0.0147	0.0659	0.118
Mycobacterium ulcerans	3-isopropylmalate dehydrogenase	0.0137	0.0608	0.9227
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0058	0.0212	0.0381
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0006	0.0009
Onchocerca volvulus		0.0017	0.0006	0.0006
Loa Loa (eye worm)	norepinephrine transporter	0.0756	0.3721	0.6668
Loa Loa (eye worm)	hypothetical protein	0.0506	0.2465	0.4418
Onchocerca volvulus		0.0017	0.0006	0.0006
Echinococcus granulosus	NAD dependent deacetylase sirtuin 7	0.0147	0.0659	0.118
Echinococcus granulosus	NAD dependent deacetylase sirtuin 3	0.0681	0.3345	0.5995
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0506	0.2465	0.7369
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0021	0.0026	0.0046
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0021	0.0026	0.0046
Brugia malayi	regulator of G-protein signaling egl-10	0.002	0.0019	0.0026
Loa Loa (eye worm)	PXA domain-containing protein	0.002	0.0019	0.0033
Onchocerca volvulus		0.0128	0.0565	0.0565
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.1126	0.5581	1
Loa Loa (eye worm)	prolyl oligopeptidase	0.02	0.0926	0.1659
Trichomonas vaginalis	isocitrate dehydrogenase, putative	0.0137	0.0608	0.1817
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0006	0.0011
Schistosoma mansoni	regulator of G protein signaling	0.002	0.0019	0.0033
Echinococcus multilocularis	regulator of G protein signaling 7	0.002	0.0019	0.0033
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.0067	0.0258	0.0463
Echinococcus granulosus	calpain 5	0.0021	0.0026	0.0046
Brugia malayi	prolyl oligopeptidase family protein	0.02	0.0926	0.1278
Onchocerca volvulus	Cathepsin F homolog	0.0017	0.0006	0.0006
Echinococcus multilocularis	cysteine protease	0.0017	0.0006	0.0011
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.02	0.0926	0.1659
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0094	0.0169
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.0067	0.0258	0.0463
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0006	0.0018
Toxoplasma gondii	RNA-directed DNA polymerase	0.0548	0.2673	0.4791
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0006	0.0011
Plasmodium vivax	calpain, putative	0.0021	0.0026	0.0046
Schistosoma mansoni	chromatin regulatory protein sir2	0.0147	0.0659	0.118
Echinococcus granulosus	sodium and chloride dependent glycine	0.0128	0.0565	0.1013
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0147	0.0659	0.1969
Brugia malayi	PXA domain containing protein	0.002	0.0019	0.0026
Toxoplasma gondii	isocitrate dehydrogenase	0.1126	0.5581	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0157	0.0281
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0128	0.0565	0.078
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0128	0.0565	0.1013
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0248	0.0444
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0565	0.1013
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0548	0.2673	0.4791
Schistosoma mansoni	serine/threonine protein kinase	0.002	0.0019	0.0033
Brugia malayi	calpain family protein 1	0.0056	0.02	0.0276
Entamoeba histolytica	hypothetical protein	0.002	0.0019	0.0056
Loa Loa (eye worm)	cysteine protease	0.0017	0.0006	0.0011
Brugia malayi	A-kinase anchor protein 10, precursor	0.002	0.0019	0.0026
Entamoeba histolytica	NAD-dependent deacetylase 1, putative	0.0147	0.0659	0.1969
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0248	0.0444
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0128	0.0565	0.1013
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0681	0.3345	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0128	0.0565	0.1013
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0006	0.0018
Echinococcus multilocularis	regulator of G protein signaling	0.002	0.0019	0.0033
Echinococcus granulosus	serotonin transporter	0.0756	0.3721	0.6668
Schistosoma mansoni	regulator of G protein signaling	0.002	0.0019	0.0033
Echinococcus multilocularis	Regulator of G protein signaling 20	0.002	0.0019	0.0033
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0021	0.0026	0.0046
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0681	0.3345	1
Brugia malayi	transcriptional regulator, Sir2 family protein	0.0147	0.0659	0.0909
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0128	0.0565	0.1013
Brugia malayi	calpain family protein 1	0.0056	0.02	0.0276
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.0067	0.0258	0.0463
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0017	0.0006	0.0011
Loa Loa (eye worm)	calpain family protein 1	0.0041	0.0126	0.0226
Plasmodium falciparum	transporter, putative	0.0128	0.0565	0.1013
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.002	0.0019	0.0033
Leishmania major	cathepsin L-like protease	0.0065	0.0248	0.0444
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.0067	0.0258	0.0463
Echinococcus granulosus	Regulator of G protein signaling 20	0.002	0.0019	0.0033
Brugia malayi	Probable isocitrate dehydrogenase	0.0137	0.0608	0.0839
Brugia malayi	Regulator of G protein signaling domain containing protein	0.002	0.0019	0.0026
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0006	0.0018
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.1126	0.5581	1
Schistosoma mansoni	regulator of G protein signaling	0.002	0.0019	0.0033
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0157	0.0281
Giardia lamblia	Transcriptional regulator, Sir2 family	0.0147	0.0659	0.1969
Trypanosoma brucei	calpain-like protein, putative	0.0021	0.0026	0.0046
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.002	0.0019	0.0033
Brugia malayi	Telomerase reverse transcriptase	0.1458	0.7247	1
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0021	0.0026	0.0046
Loa Loa (eye worm)	hypothetical protein	0.002	0.0019	0.0033
Brugia malayi	isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial	0.0137	0.0608	0.0839
Schistosoma mansoni	serine/threonine protein kinase	0.002	0.0019	0.0033
Loa Loa (eye worm)	calpain family protein 1	0.0056	0.02	0.0358
Entamoeba histolytica	hypothetical protein	0.002	0.0019	0.0056
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0548	0.2673	0.4791
Schistosoma mansoni	axis inhibition protein axin	0.002	0.0019	0.0033
Leishmania major	silent information regulator 2, putative	0.0681	0.3345	0.5995
Plasmodium falciparum	transcriptional regulatory protein sir2a	0.0147	0.0659	0.118
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0006	0.0018
Schistosoma mansoni	calpain C (C02 family)	0.0021	0.0026	0.0046
Plasmodium falciparum	amino acid transporter, putative	0.0128	0.0565	0.1013
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.002	0.0019	0.0026
Echinococcus granulosus	calpain A	0.0058	0.0212	0.0381
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0021	0.0026	0.0046
Brugia malayi	isocitrate dehydrogenase	0.1126	0.5581	0.7701
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0006	0.0006
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0017	0.0006	0.0011
Onchocerca volvulus		0.0017	0.0006	0.0006
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0058	0.0212	0.0381
Brugia malayi	Probable isocitrate dehydrogenase	0.0137	0.0608	0.0839
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 7	0.0147	0.0659	0.118
Loa Loa (eye worm)	hypothetical protein	0.002	0.0019	0.0033
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 1	0.0506	0.2465	0.4418
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.02	0.0926	0.1659
Loa Loa (eye worm)	calpain	0.0021	0.0026	0.0046
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0128	0.0565	0.1013
Onchocerca volvulus		0.0756	0.3721	0.3721
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0006	0.0011
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.0021	0.0026	0.0046
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0147	0.0659	0.1969
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0021	0.0026	0.0046
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0128	0.0565	0.1013
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.0147	0.0659	0.1969
Onchocerca volvulus		0.0128	0.0565	0.0565
Echinococcus granulosus	cathepsin l1	0.0017	0.0006	0.0011
Giardia lamblia	NAD-dependent histone deacetylase Sir2	0.0506	0.2465	0.7369
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0128	0.0565	0.1013
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.0006	0.0011
Trypanosoma cruzi	Silent information regulator 2 related protein 3	0.0147	0.0659	0.118
Echinococcus granulosus	calpain 7 C02 family	0.0021	0.0026	0.0046
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0548	0.2673	0.4791
Loa Loa (eye worm)	hypothetical protein	0.0056	0.02	0.0358
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0006	0.0011
Loa Loa (eye worm)	RGS-3 protein	0.002	0.0019	0.0033
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0006	0.0011
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0157	0.0281
Trypanosoma brucei	antigen, putative	0.0021	0.0026	0.0046
Trypanosoma brucei	Silent information regulator 2 related protein 1	0.0681	0.3345	0.5995
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0006	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0359	0.1727	0.3094
Onchocerca volvulus		0.0017	0.0006	0.0006
Brugia malayi	Regulator of G protein signaling domain containing protein	0.002	0.0019	0.0026
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.1126	0.5581	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0128	0.0565	0.078
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0128	0.0565	0.5
Echinococcus granulosus	axis inhibition protein axin	0.002	0.0019	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0565	0.1013
Toxoplasma gondii	cathepsin CPL	0.0017	0.0006	0.0011
Echinococcus granulosus	NAD dependent deacetylase sirtuin 1	0.0506	0.2465	0.4418
Treponema pallidum	sodium- and chloride- dependent transporter	0.0756	0.3721	0.5
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0128	0.0565	0.1013
Echinococcus multilocularis	expressed protein	0.0381	0.1835	0.3288
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0006	0.0018
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0756	0.3721	0.6668
Schistosoma mansoni	z-protein (S1r protein)	0.002	0.0019	0.0033
Echinococcus granulosus	axis inhibition protein axin	0.002	0.0019	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0756	0.3721	0.6668
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0006	0.0018
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0248	0.0444
Toxoplasma gondii	histone deacetylase SIR2	0.0147	0.0659	0.118
Echinococcus multilocularis	isocitrate dehydrogenase	0.1126	0.5581	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0157	0.0281
Mycobacterium tuberculosis	Transcriptional regulatory protein	0.0147	0.0659	0.118
Brugia malayi	NAD-dependent deacetylase SIRT1	0.0506	0.2465	0.3402
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0157	0.0216
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0006	0.0009
Brugia malayi	hypothetical protein	0.0128	0.0565	0.078
Schistosoma mansoni	chromatin regulatory protein sir2	0.0147	0.0659	0.118
Brugia malayi	hypothetical protein	0.002	0.0019	0.0026
Echinococcus multilocularis	calpain	0.0021	0.0026	0.0046
Loa Loa (eye worm)	hypothetical protein	0.002	0.0019	0.0033
Trypanosoma brucei	calpain-like protein, putative	0.0021	0.0026	0.0046
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0006	0.0009
Plasmodium vivax	hypothetical protein, conserved	0.0128	0.0565	0.1013
Schistosoma mansoni	Mername-AA248 (C02 family)	0.0021	0.0026	0.0046
Plasmodium falciparum	telomerase reverse transcriptase	0.0548	0.2673	0.4791
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.1126	0.5581	1
Loa Loa (eye worm)	serotonin transporter b	0.0756	0.3721	0.6668
Plasmodium vivax	hypothetical protein, conserved	0.0147	0.0659	0.118
Mycobacterium leprae	PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH)	0.0137	0.0608	1
Echinococcus multilocularis	chromatin regulatory protein sir2	0.0681	0.3345	0.5995
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0006	0.0018
Echinococcus multilocularis	regulator of G protein signaling 3	0.002	0.0019	0.0033
Brugia malayi	transcriptional regulator, Sir2 family protein	0.0681	0.3345	0.4616
Echinococcus multilocularis	isocitrate dehydrogenase (NAD) subunit	0.0137	0.0608	0.1089
Brugia malayi	PXA domain containing protein	0.002	0.0019	0.0026
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.0248	0.0444
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.1126	0.5581	1
Echinococcus multilocularis	hypothetical protein	0.0021	0.0026	0.0046
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.002	0.0019	0.0033
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.0248	0.0444
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0128	0.0565	0.1013
Echinococcus granulosus	calpain	0.0021	0.0026	0.0046
Trypanosoma brucei	calpain-like protein, putative	0.0021	0.0026	0.0046
Echinococcus multilocularis	regulator of G protein signaling 3	0.002	0.0019	0.0033
Schistosoma mansoni	calpain-7 (C02 family)	0.0021	0.0026	0.0046
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0006	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0126	0.0226
Brugia malayi	regulator of G-protein signaling rgs-7	0.002	0.0019	0.0026
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0128	0.0565	0.1013

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 1.1 nM	Inhibitory constant against cloned human Gonadotropin-releasing hormone receptor stably expressed in HEK293 cells was determined	ChEMBL.	15664839
Ki (binding)	= 1.1 nM	Inhibitory constant against cloned human Gonadotropin-releasing hormone receptor stably expressed in HEK293 cells was determined	ChEMBL.	15664839
Ki (binding)	= 5.2 nM	Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor stably expressed in HEK293 cells	ChEMBL.	12951116
Ki (binding)	= 5.2 nM	Ability to inhibit des-Gly10[125I-Tyr5,DLeu6,NMeLeu7, Pro9-NEt]-GnRH radioligand binding to the cloned human gonadotropin-releasing hormone receptor stably expressed in HEK293 cells	ChEMBL.	12951116
Ki (binding)	= 5.2 nM	Binding affinity at human GnRH receptor	ChEMBL.	18419112

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: CHEMBL321376

Bibliographic References

3 literature references were collected for this gene.

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Detailed information for compound 185979