TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 429.514 | Formula: C25H27N5O2
H donors: 1 H acceptors: 2 LogP: 3.43 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O1CCN(CC1)CCNc1ccn2c(n1)cc(n2)c1ccc(cc1)OCc1ccccc1
InChi: 1S/C25H27N5O2/c1-2-4-20(5-3-1)19-32-22-8-6-21(7-9-22)23-18-25-27-24(10-12-30(25)28-23)26-11-13-29-14-16-31-17-15-29/h1-10,12,18H,11,13-17,19H2,(H,26,27)
InChiKey: JRUUXDVUVLSPIR-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	melanocortin 4 receptor	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0026	0.0026
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.008	0.2724	0.2724
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0356	0.1308
Onchocerca volvulus		0.0037	0.1061	0.1394
Echinococcus granulosus	lipoxygenase domain containing protein	0.0022	0.0487	0.0487
Plasmodium vivax	multidomain scavenger receptor, putative	0.0022	0.0487	0.4586
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.008	0.2724	0.3967
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0026	0.0014
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0019	0.0356	0.0356
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0113	0.0416
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0426	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0026	0.0026
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0026	0.0014
Onchocerca volvulus		0.0019	0.0356	0.0458
Leishmania major	hypothetical protein, conserved	0.0037	0.1061	0.2979
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0026	0.0037
Brugia malayi	hypothetical protein	0.0022	0.0487	0.0487
Schistosoma mansoni	dep domain containing protein	0.001	0.0011	0.0017
Loa Loa (eye worm)	hypothetical protein	0.008	0.2724	0.2715
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0026	0.0026
Brugia malayi	regulator of G-protein signaling egl-10	0.001	0.0011	0.0011
Trypanosoma cruzi	cysteine peptidase, putative	0.0019	0.0356	0.1308
Echinococcus multilocularis	survival motor neuron protein 1	0.0268	1	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0026	0.0026
Onchocerca volvulus		0.0022	0.0487	0.0631
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.001	0.0011	0.0011
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0026	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0356	0.0345
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.008	0.2724	1
Loa Loa (eye worm)	fibroinase	0.0019	0.0356	0.0345
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0026	0.0026
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0026	0.0014
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0026	0.0019
Entamoeba histolytica	cysteine protease, putative	0.0019	0.0356	0.1308
Onchocerca volvulus		0.0019	0.0356	0.0458
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.008	0.2724	1
Mycobacterium tuberculosis	Conserved protein	0.0037	0.1061	0.0757
Echinococcus granulosus	regulator of G protein signaling 7	0.001	0.0011	0.0011
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0356	0.1308
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.1061	0.1061
Brugia malayi	steroid hormone receptor	0.001	0.0026	0.0026
Onchocerca volvulus		0.0055	0.1738	0.2292
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0026	0.0026
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.1061	1
Echinococcus multilocularis	RUN	0.0022	0.0487	0.0487
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.1061	0.3897
Brugia malayi	DIX domain containing protein	0.001	0.0011	0.0011
Echinococcus granulosus	lipoxygenase domain containing protein	0.0022	0.0487	0.0487
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.008	0.2724	0.2724
Entamoeba histolytica	hypothetical protein	0.0078	0.2639	0.9691
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0113	0.0102
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.1061	0.0757
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0356	0.1308
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.008	0.2724	1
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0026	0.0026
Echinococcus granulosus	RUN	0.0022	0.0487	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0487	0.0476
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0026	0.0026
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0022	0.0487	0.0487
Onchocerca volvulus		0.0037	0.1061	0.1394
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.1061	0.3897
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0026	0.0019
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0066	0.2178	0.7999
Schistosoma mansoni	coup transcription factor	0.001	0.0026	0.0037
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0019	0.0356	0.0345
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0356	0.1308
Echinococcus multilocularis	cathepsin L cysteine protease	0.0019	0.0356	0.0356
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0356	0.1308
Echinococcus multilocularis	cysteine protease	0.0019	0.0356	0.0356
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.1061	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0019	0.0356	0.0356
Echinococcus granulosus	survival motor neuron protein 1	0.0268	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0356	0.1308
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0487	0.0476
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0026	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1061	0.1051
Toxoplasma gondii	ABC1 family protein	0.0037	0.1061	1
Loa Loa (eye worm)	cysteine protease	0.0019	0.0356	0.0345
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0356	0.1308
Echinococcus granulosus	geminin	0.0187	0.6866	0.6866
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.008	0.2724	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0019	0.0356	0.0356
Onchocerca volvulus		0.0019	0.0356	0.0458
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.008	0.2724	1
Toxoplasma gondii	exonuclease III APE	0.0021	0.0426	0.3944
Loa Loa (eye worm)	ctsf protein	0.0019	0.0356	0.0345
Brugia malayi	N-terminal motif family protein	0.0204	0.7545	0.7545
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0356	0.1308
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.1061	1
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0356	0.0356
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	0.2421	0.8891
Schistosoma mansoni	lipoxygenase	0.0134	0.4798	0.6988
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0026	0.0037
Schistosoma mansoni	dishevelled	0.001	0.0011	0.0017
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0356	0.1308
Loa Loa (eye worm)	hypothetical protein	0.001	0.0026	0.0014
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.1061	0.0757
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.1061	0.1546
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.1061	0.3897
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0026	0.0037
Brugia malayi	hypothetical protein	0.001	0.0011	0.0011
Echinococcus multilocularis	cathepsin L cysteine protease	0.0019	0.0356	0.0356
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0021	0.0426	0.0292
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0.0426	0.5
Trichomonas vaginalis	esterase, putative	0.0037	0.1061	0.3897
Onchocerca volvulus		0.0019	0.0356	0.0458
Trypanosoma cruzi	major cysteine proteinase, putative	0.0057	0.1822	0.669
Schistosoma mansoni	regulator of G protein signaling	0.001	0.0011	0.0017
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0356	0.1308
Echinococcus granulosus	segment polarity protein dishevelled	0.001	0.0011	0.0011
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0356	0.1308
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.001	0.0011	0.0011
Echinococcus granulosus	Pleckstrin G protein interacting region	0.001	0.0011	0.0011
Brugia malayi	beta-lactamase family protein	0.0037	0.1061	0.1061
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0019	0.0356	0.732
Entamoeba histolytica	hypothetical protein	0.0078	0.2639	0.9691
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0026	0.0026
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0426	0.1562
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0078	0.2639	0.2639
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.001	0.0011	0.0011
Toxoplasma gondii	cathepsin CPL	0.0019	0.0356	0.3285
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0426	0.0415
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.1061	0.0757
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.1061	0.1061
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0026	0.0037
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0026	0.0019
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.1061	0.3897
Schistosoma mansoni	survival motor neuron protein	0.0055	0.1738	0.2532
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0078	0.2639	0.2639
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1061	0.1051
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0026	0.0026
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0237	0.8822	1
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0356	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1061	0.1051
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0026	0.0037
Onchocerca volvulus		0.0013	0.0113	0.0135
Loa Loa (eye worm)	hypothetical protein	0.001	0.0026	0.0014
Loa Loa (eye worm)	hypothetical protein	0.001	0.0026	0.0014
Leishmania major	cathepsin L-like protease	0.0072	0.2421	0.8724
Loa Loa (eye worm)	hypothetical protein	0.001	0.0026	0.0014
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.008	0.2724	0.2724
Loa Loa (eye worm)	doublecortin family protein	0.0022	0.0487	0.0476
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0026	0.0026
Echinococcus multilocularis	ubiquitin specific protease 41	0.008	0.2724	0.2724
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0026	0.0026
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0356	0.1308
Schistosoma mansoni	loxhd1	0.0022	0.0487	0.0709
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	0.2421	0.8891
Onchocerca volvulus		0.001	0.0026	0.0019
Plasmodium vivax	vivapain-2	0.0019	0.0356	0.3357
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	0.2421	0.8891
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0356	0.1308
Schistosoma mansoni	ap endonuclease	0.0021	0.0426	0.062
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.1061	0.1546
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0026	0.0026
Onchocerca volvulus	Cathepsin F homolog	0.0019	0.0356	0.0458
Echinococcus multilocularis	geminin	0.0187	0.6866	0.6866
Mycobacterium ulcerans	beta-lactamase	0.0037	0.1061	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	0.2421	0.8891
Schistosoma mansoni	cathepsin F (C01 family)	0.0019	0.0356	0.0519
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0204	0.7545	1
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.008	0.2724	0.2724
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0026	0.0026
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	0.2421	0.8891
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0021	0.0426	0.1562
Leishmania major	cathepsin L-like protease	0.0072	0.2421	0.8724
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0026	0.0026
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0019	0.0356	0.0356
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0026	0.0026
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0356	0.0356
Onchocerca volvulus		0.0019	0.0356	0.0458
Onchocerca volvulus		0.0037	0.1061	0.1394
Schistosoma mansoni	lipoxygenase	0.0093	0.324	0.4719
Schistosoma mansoni	rab6-interacting	0.0022	0.0487	0.0709
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0426	0.4009
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0026	0.0026
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0026	0.0026
Loa Loa (eye worm)	beta-lactamase	0.0037	0.1061	0.1051
Plasmodium vivax	vivapain-2	0.0019	0.0356	0.3357
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0019	0.0356	0.1308
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0026	0.0026
Brugia malayi	cathepsin L-like precursor	0.0013	0.0113	0.0113
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0019	0.0356	0.0345
Brugia malayi	hypothetical protein	0.0078	0.2639	0.2639
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0019	0.0356	0.1308
Brugia malayi	nuclear receptor NHR-88	0.001	0.0026	0.0026
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.001	0.0011	0.0017
Schistosoma mansoni	dishevelled	0.001	0.0011	0.0017
Mycobacterium tuberculosis	Conserved protein	0.0037	0.1061	0.0757
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0013	0.0113	0.0113
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	0.2421	0.8891
Echinococcus granulosus	Polycystic kidney disease protein	0.0022	0.0487	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0113	0.0102
Entamoeba histolytica	hypothetical protein	0.0078	0.2639	0.9691
Brugia malayi	Doublecortin family protein	0.0022	0.0487	0.0487
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0026	0.0037
Echinococcus granulosus	cathepsin l1	0.0013	0.0113	0.0113
Brugia malayi	beta-lactamase	0.0037	0.1061	0.1061
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0026	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1061	0.1051
Loa Loa (eye worm)	hypothetical protein	0.001	0.0026	0.0014
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.1061	0.3897
Echinococcus granulosus	segment polarity protein dishevelled	0.001	0.0011	0.0011
Onchocerca volvulus	Cathepsin L homolog	0.0019	0.0356	0.0458
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0426	0.8741
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.1061	0.3897
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0026	0.0026
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0113	0.0416
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0356	0.0356
Leishmania major	cathepsin L-like protease	0.0072	0.2421	0.8724
Echinococcus multilocularis	regulator of G protein signaling 7	0.001	0.0011	0.0011
Echinococcus multilocularis	Polycystic kidney disease protein	0.0022	0.0487	0.0487
Schistosoma mansoni	polycystin 1-related	0.0022	0.0487	0.0709
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0026	0.0026
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0356	0.1308
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0356	0.1308
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0134	0.4798	0.4798
Schistosoma mansoni	hypothetical protein	0.0078	0.2639	0.3844
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0356	0.1308
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.008	0.2724	1
Loa Loa (eye worm)	hypothetical protein	0.0204	0.7545	0.7542
Schistosoma mansoni	cathepsin F (C01 family)	0.0019	0.0356	0.0519
Schistosoma mansoni	ap endonuclease	0.0021	0.0426	0.062
Onchocerca volvulus		0.0022	0.0487	0.0631
Trypanosoma cruzi	cruzipain precursor, putative	0.0072	0.2421	0.8891
Brugia malayi	ecdysteroid receptor	0.001	0.0026	0.0026
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0026	0.0026
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0026	0.0026
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0356	0.1308
Echinococcus granulosus	ubiquitin specific protease 41	0.008	0.2724	0.2724
Schistosoma mansoni	transcription factor LCR-F1	0.0078	0.2639	0.3844
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0026	0.0026
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0026	0.0026
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0426	0.0426
Mycobacterium ulcerans	lipase LipD	0.0037	0.1061	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	0.2421	0.8891
Mycobacterium tuberculosis	Conserved protein	0.0037	0.1061	0.0757
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0026	0.0014
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.1061	0.0757
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0113	0.0113
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.008	0.2724	0.3967
Onchocerca volvulus		0.0019	0.0356	0.0458
Echinococcus multilocularis	regulator of G protein signaling 7	0.001	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1061	0.1051
Trypanosoma cruzi	cysteine peptidase, putative	0.0072	0.2421	0.8891
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0356	0.1308
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0021	0.0426	0.1562
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0026	0.0026
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0356	0.1308
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0026	0.0026
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0026	0.0026
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0026	0.0026
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.008	0.2724	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0356	0.1308
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0356	0.1308
Brugia malayi	hypothetical protein	0.0022	0.0487	0.0487
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0356	0.1308
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.1061	0.1061
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0026	0.0037
Schistosoma mansoni	rab6-interacting	0.0022	0.0487	0.0709
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.1061	0.0757
Brugia malayi	Papain family cysteine protease containing protein	0.0019	0.0356	0.0356
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0026	0.0026
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.1061	0.3897
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.1061	0.0757
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0026	0.0026
Schistosoma mansoni	hypothetical protein	0.0022	0.0487	0.0709
Loa Loa (eye worm)	hypothetical protein	0.001	0.0026	0.0014
Mycobacterium leprae	Probable lipase LipE	0.0037	0.1061	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	0.2421	0.8891
Onchocerca volvulus	Cathepsin L homolog	0.0019	0.0356	0.0458
Trypanosoma cruzi	cysteine peptidase, putative	0.0072	0.2421	0.8891
Echinococcus multilocularis	segment polarity protein dishevelled	0.001	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0113	0.0102
Mycobacterium ulcerans	hypothetical protein	0.0037	0.1061	1
Brugia malayi	beta-lactamase family protein	0.0037	0.1061	0.1061
Entamoeba histolytica	cysteine proteinase, putative	0.0019	0.0356	0.1308
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	0.2421	0.8891
Schistosoma mansoni	hypothetical protein	0.0055	0.1738	0.2532
Trypanosoma cruzi	cysteine peptidase, putative	0.0072	0.2421	0.8891
Schistosoma mansoni	hypothetical protein	0.0187	0.6866	1
Brugia malayi	nuclear hormone receptor	0.001	0.0026	0.0026
Echinococcus multilocularis	segment polarity protein dishevelled	0.001	0.0011	0.0011
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0356	0.0356
Loa Loa (eye worm)	hypothetical protein	0.001	0.0026	0.0014
Schistosoma mansoni	hypothetical protein	0.0187	0.6866	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.1061	0.1051
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0026	0.0037
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0426	0.1562
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0426	0.0426
Echinococcus multilocularis	cysteine protease	0.0019	0.0356	0.0356
Loa Loa (eye worm)	hypothetical protein	0.001	0.0026	0.0014
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0426	0.1562
Onchocerca volvulus		0.0019	0.0356	0.0458
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0026	0.0014
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0026	0.0014
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0113	0.0113
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.008	0.2724	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0019	0.0356	0.732
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0026	0.0014
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0026	0.0037
Schistosoma mansoni	cathepsin F (C01 family)	0.0013	0.0113	0.0165
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0426	0.0426
Brugia malayi	hypothetical protein	0.001	0.0011	0.0011
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0026	0.0026
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0022	0.0487	0.0487
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0019	0.0356	0.732
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0134	0.4798	0.4798
Plasmodium falciparum	LCCL domain-containing protein	0.0022	0.0487	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0026	0.0037
Trichomonas vaginalis	conserved hypothetical protein	0.008	0.2724	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.1061	0.0757
Echinococcus granulosus	regulator of G protein signaling 7	0.001	0.0011	0.0011
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0026	0.0026
Entamoeba histolytica	hypothetical protein	0.0078	0.2639	0.9691
Schistosoma mansoni	z-protein (S1r protein)	0.001	0.0011	0.0017
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.1061	0.3897
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0356	0.0356
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1061	0.1051
Entamoeba histolytica	cysteine proteinase, putative	0.0019	0.0356	0.1308
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	0.2421	0.8891
Loa Loa (eye worm)	hypothetical protein	0.0268	1	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0055	0.1738	0.1738
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	0.2421	0.8891
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0021	0.0426	0.1562
Echinococcus granulosus	cathepsin l1	0.0019	0.0356	0.0356
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0356	0.1308
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0026	0.0026
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.1061	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0013	0.0113	0.0416
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.008	0.2724	0.2724

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 19.951 uM	PUBCHEM_BIOASSAY: TRFRET-based cell-based high throughput dose response assay for biased ligands (antagonists) of the melanocortin 4 receptor (MC4R). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 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)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1868672

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1120496