TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 363.453 | Formula: C22H25N3O2
H donors: 3 H acceptors: 2 LogP: 2.63 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: O=C1NCc2cccc(c2)CNC(=O)CC=CC(C(N1)c1ccccc1)C
InChi: 1S/C22H25N3O2/c1-16-7-5-12-20(26)23-14-17-8-6-9-18(13-17)15-24-22(27)25-21(16)19-10-3-2-4-11-19/h2-11,13,16,21H,12,14-15H2,1H3,(H,23,26)(H2,24,25,27)
InChiKey: KSBGAXIOHACUNA-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

No curated genes were found associated with this compound

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
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.2611	0.3377
Loa Loa (eye worm)	cysteine protease	0.0078	0.2611	0.5042
Trypanosoma cruzi	cysteine protease, putative	0.004	0.0847	0.2757
Brugia malayi	hypothetical protein	0.0038	0.0749	0.1447
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.2611	0.3377
Brugia malayi	Papain family cysteine protease containing protein	0.004	0.0847	0.1636
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.2611	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1448	0.2796
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0749	0.1447
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.1129	0.2181
Echinococcus granulosus	geminin	0.0172	0.6962	1
Schistosoma mansoni	plexin	0.0091	0.3225	0.3103
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0052	0.1408	0.5061
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.2611	0.3377
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.2611	0.3377
Echinococcus multilocularis	G protein coupled receptor kinase 1	0.0081	0.2723	0.3178
Entamoeba histolytica	cysteine protease, putative	0.004	0.0847	0.3172
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.2611	0.3377
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0099	0.3574	0.2979
Echinococcus granulosus	cathepsin L cysteine protease	0.004	0.0847	0.0157
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.2611	0.3377
Brugia malayi	Cathepsin L-like precursor	0.0078	0.2611	0.5042
Echinococcus multilocularis	plexin a4	0.0108	0.4003	0.5237
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0237	1	1
Entamoeba histolytica	cysteine protease, putative	0.004	0.0847	0.3172
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0078	0.2611	0.3377
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0078	0.2611	0.5042
Echinococcus multilocularis	geminin	0.0172	0.6962	1
Entamoeba histolytica	cysteine protease, putative	0.004	0.0847	0.3172
Entamoeba histolytica	cysteine proteinase 1, putative	0.004	0.0847	0.3172
Entamoeba histolytica	cysteine protease, putative	0.004	0.0847	0.3172
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1129	0.0612
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.1129	0.2181
Schistosoma mansoni	serine/threonine protein kinase	0.0133	0.5179	0.5092
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.2611	0.3377
Echinococcus multilocularis	cysteine protease	0.0078	0.2611	0.2997
Schistosoma mansoni	cathepsin F (C01 family)	0.0052	0.1408	0.1255
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0749	0.1447
Brugia malayi	cathepsin L-like precursor	0.0052	0.1408	0.272
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.2611	1
Brugia malayi	plexin A	0.0108	0.4003	0.773
Echinococcus granulosus	cysteine protease	0.004	0.0847	0.0157
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.2611	1
Entamoeba histolytica	cysteine protease, putative	0.004	0.0847	0.3172
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.2611	0.3377
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.2611	0.3377
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.2611	0.3377
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.2611	0.3377
Brugia malayi	Cathepsin L-like precursor	0.0078	0.2611	0.5042
Leishmania major	cathepsin L-like protease	0.0078	0.2611	0.5
Schistosoma mansoni	plexin	0.0053	0.1448	0.1295
Leishmania major	cathepsin L-like protease	0.0078	0.2611	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.2611	0.3377
Leishmania major	cathepsin L-like protease	0.0078	0.2611	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1129	0.0612
Brugia malayi	Cathepsin L-like precursor	0.0078	0.2611	0.5042
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0102	0.373	0.4797
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.2611	1
Echinococcus granulosus	cathepsin L	0.004	0.0847	0.0157
Echinococcus multilocularis	cathepsin L cysteine protease	0.0078	0.2611	0.2997
Onchocerca volvulus	Cathepsin L homolog	0.0078	0.2611	0.7522
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.2611	0.3377
Echinococcus multilocularis	cathepsin L	0.004	0.0847	0.0157
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0078	0.2611	0.1927
Schistosoma mansoni	hypothetical protein	0.0038	0.0749	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1408	0.272
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.2611	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.2611	0.5042
Echinococcus multilocularis	cysteine protease	0.0078	0.2611	0.2997
Schistosoma mansoni	hypothetical protein	0.0053	0.1448	0.1295
Brugia malayi	Papain family cysteine protease containing protein	0.0078	0.2611	0.5042
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.004	0.0847	0.0683
Onchocerca volvulus	Cathepsin L homolog	0.0078	0.2611	0.7522
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0237	1	1
Brugia malayi	Cathepsin L-like precursor	0.0052	0.1408	0.272
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0176	0.0339
Schistosoma mansoni	serine/threonine protein kinase	0.0102	0.373	0.3617
Trypanosoma cruzi	cysteine peptidase, putative	0.0078	0.2611	1
Entamoeba histolytica	cysteine proteinase, putative	0.0078	0.2611	1
Toxoplasma gondii	cathepsin CPC2	0.0099	0.3574	0.1303
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0102	0.373	0.4797
Plasmodium vivax	vivapain-3	0.004	0.0847	0.0683
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0026	0.0176	0.0339
Trypanosoma cruzi	cysteine peptidase, putative	0.0078	0.2611	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.2611	0.3377
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0237	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0078	0.2611	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0078	0.2611	0.3377
Trypanosoma cruzi	cysteine peptidase, putative	0.0078	0.2611	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.2611	0.3377
Entamoeba histolytica	cysteine protease, putative	0.004	0.0847	0.3172
Plasmodium vivax	vivapain-2	0.0078	0.2611	0.2479
Echinococcus granulosus	[G-protein-coupledreceptor] kinase	0.0112	0.4172	0.551
Echinococcus granulosus	cathepsin l1	0.0052	0.1408	0.1061
Onchocerca volvulus		0.0091	0.3225	1
Brugia malayi	Papain family cysteine protease containing protein	0.004	0.0847	0.1636
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0112	0.4172	0.8057
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.2611	1
Entamoeba histolytica	cysteine protease, putative	0.004	0.0847	0.3172
Leishmania major	cathepsin L-like protease	0.0078	0.2611	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.1408	0.1075
Leishmania major	cathepsin L-like protease	0.0078	0.2611	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.0078	0.2611	0.2479
Entamoeba histolytica	cysteine proteinase, putative	0.004	0.0847	0.3172
Schistosoma mansoni	hypothetical protein	0.0172	0.6962	0.6907
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0176	0.0339
Brugia malayi	cathepsin F-like cysteine proteinase	0.0026	0.0176	0.0339
Entamoeba histolytica	cysteine protease, putative	0.004	0.0847	0.3172
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.2611	0.3377
Loa Loa (eye worm)	G protein-coupled receptor kinase 1	0.0112	0.4172	0.8057
Loa Loa (eye worm)	hypothetical protein	0.0091	0.3225	0.6227
Brugia malayi	Cathepsin L-like precursor	0.0078	0.2611	0.5042
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.2611	0.3377
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.2611	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.2611	0.3377
Echinococcus granulosus	cathepsin l1	0.0078	0.2611	0.2997
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.004	0.0847	0.0683
Onchocerca volvulus		0.0078	0.2611	0.7522
Plasmodium vivax	unspecified product	0.004	0.0847	0.0683
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0078	0.2611	0.1927
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0078	0.2611	0.2997
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0078	0.2611	0.2997
Leishmania major	cathepsin L-like protease	0.0078	0.2611	0.5
Trypanosoma cruzi	cysteine proteinase, putative	0.004	0.0847	0.2757
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0112	0.4172	0.8057
Entamoeba histolytica	cysteine protease, putative	0.004	0.0847	0.3172
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.2611	0.3377
Entamoeba histolytica	cysteine protease, putative	0.0078	0.2611	1
Onchocerca volvulus		0.0052	0.1408	0.2663
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1129	0.0612
Brugia malayi	hypothetical protein	0.0038	0.0749	0.1447
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.2611	1
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0099	0.3574	0.3459
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1129	0.0971
Entamoeba histolytica	cysteine protease, putative	0.004	0.0847	0.3172
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0749	0.1447
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1129	0.0612
Entamoeba histolytica	cysteine protease, putative	0.004	0.0847	0.3172
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.2611	0.3377
Brugia malayi	Plexin repeat family protein	0.0091	0.3225	0.6227
Leishmania major	cysteine peptidase A (CPA)	0.0078	0.2611	0.5
Plasmodium vivax	vivapain-1	0.004	0.0847	0.0683
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.1408	0.1075
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.2611	0.3377
Onchocerca volvulus	Cathepsin F homolog	0.0078	0.2611	0.7522
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0133	0.5179	1
Leishmania major	cathepsin L-like protease	0.0078	0.2611	0.5
Onchocerca volvulus		0.0078	0.2611	0.7522
Schistosoma mansoni	cathepsin F (C01 family)	0.0078	0.2611	0.2479
Entamoeba histolytica	cysteine protease, putative	0.004	0.0847	0.3172
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0237	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.004	0.0847	0.2757
Plasmodium vivax	vivapain-2	0.0078	0.2611	0.2479
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0749	0.1447
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0052	0.1408	0.272
Onchocerca volvulus		0.0078	0.2611	0.7522
Schistosoma mansoni	semaphorin 5-related	0.0038	0.0749	0.0584
Trypanosoma cruzi	cruzipain precursor, putative	0.0078	0.2611	1
Brugia malayi	Sema domain containing protein	0.0038	0.0749	0.1447
Echinococcus multilocularis	G protein coupled receptor kinase 6	0.0112	0.4172	0.551
Brugia malayi	Cathepsin L-like precursor	0.0078	0.2611	0.5042
Schistosoma mansoni	hypothetical protein	0.0172	0.6962	0.6907
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0133	0.5179	1
Onchocerca volvulus		0.0078	0.2611	0.7522
Echinococcus granulosus	G protein coupled receptor kinase 1	0.0081	0.2723	0.3178
Onchocerca volvulus		0.0078	0.2611	0.7522
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.004	0.0847	0.2757
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0078	0.2611	0.2997
Entamoeba histolytica	cysteine proteinase, putative	0.004	0.0847	0.3172
Onchocerca volvulus		0.0078	0.2611	0.7522
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1408	0.272
Onchocerca volvulus		0.0078	0.2611	0.7522
Schistosoma mansoni	hypothetical protein	0.0038	0.0749	0.0584
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0078	0.2611	0.1927
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.2611	0.3377
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0237	1	1
Brugia malayi	Cathepsin L-like precursor	0.0078	0.2611	0.5042
Loa Loa (eye worm)	ctsf protein	0.0078	0.2611	0.5042
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.2611	1
Entamoeba histolytica	cysteine protease, putative	0.004	0.0847	0.3172
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0237	1	1
Brugia malayi	Cathepsin L-like precursor	0.0026	0.0176	0.0339
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.2611	1
Entamoeba histolytica	cysteine proteinase, putative	0.0052	0.1408	0.5345
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1408	0.272
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0176	0.0339
Echinococcus granulosus	plexin a4	0.0108	0.4003	0.5237
Trypanosoma cruzi	cysteine peptidase, putative	0.004	0.0847	0.2757
Entamoeba histolytica	cysteine proteinase, putative	0.004	0.0847	0.3172
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0078	0.2611	1
Loa Loa (eye worm)	fibroinase	0.0078	0.2611	0.5042
Brugia malayi	Sema domain containing protein	0.0038	0.0749	0.1447
Leishmania major	cathepsin L-like protease	0.0078	0.2611	0.5
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0078	0.2611	0.2997
Toxoplasma gondii	cathepsin CPC1	0.0237	1	1
Entamoeba histolytica	cysteine proteinase 2	0.004	0.0847	0.3172
Loa Loa (eye worm)	plexin A	0.0108	0.4003	0.773
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.2611	0.3377
Brugia malayi	Cathepsin L-like precursor	0.0052	0.1408	0.272
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0749	0.1447
Echinococcus multilocularis	cathepsin L cysteine protease	0.0078	0.2611	0.2997
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0153	0.6071	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0749	0.1447
Entamoeba histolytica	cysteine proteinase, putative	0.004	0.0847	0.3172
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1129	0.0971
Entamoeba histolytica	cysteine proteinase, putative	0.0078	0.2611	1
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0102	0.373	0.7202
Schistosoma mansoni	serine/threonine protein kinase	0.0102	0.373	0.3617
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.004	0.0847	0.0683
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0078	0.2611	0.5042
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1129	0.0971
Loa Loa (eye worm)	sema domain-containing protein	0.0038	0.0749	0.1447
Loa Loa (eye worm)	sema domain-containing protein	0.0038	0.0749	0.1447
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0026	0.0176	0.0339

Activities

No activities found for this compound.

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: CHEMBL1729626

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1547564