TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 514.662 | Formula: C30H38N6O2
H donors: 0 H acceptors: 3 LogP: 3.28 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: CN1CCC(CC1)N1CCN(CC1)C(=O)[C@H]1CCCN1C(=O)c1nc2c(n1Cc1ccccc1)cccc2
InChi: 1S/C30H38N6O2/c1-32-16-13-24(14-17-32)33-18-20-34(21-19-33)29(37)27-12-7-15-35(27)30(38)28-31-25-10-5-6-11-26(25)36(28)22-23-8-3-2-4-9-23/h2-6,8-11,24,27H,7,12-22H2,1H3/t27-/m1/s1
InChiKey: PMIBGRJDGXGXSR-HHHXNRCGSA-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
Macaca fascicularis	B1 bradykinin receptor	Starlite/ChEMBL	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
Loa Loa (eye worm)	hypothetical protein	B1 bradykinin receptor	352 aa	318 aa	22.3 %
Onchocerca volvulus		B1 bradykinin receptor	352 aa	294 aa	23.8 %
Schistosoma mansoni	neuropeptide receptor	B1 bradykinin receptor	352 aa	307 aa	22.8 %
Loa Loa (eye worm)	G protein-coupled receptor	B1 bradykinin receptor	352 aa	360 aa	20.6 %
Echinococcus granulosus	growth hormone secretagogue receptor type 1	B1 bradykinin receptor	352 aa	341 aa	23.2 %
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	B1 bradykinin receptor	352 aa	354 aa	22.0 %
Onchocerca volvulus		B1 bradykinin receptor	352 aa	310 aa	22.6 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	B1 bradykinin receptor	352 aa	338 aa	21.0 %
Loa Loa (eye worm)	neuropeptide F receptor	B1 bradykinin receptor	352 aa	327 aa	26.9 %
Echinococcus granulosus	neuropeptide receptor	B1 bradykinin receptor	352 aa	313 aa	25.9 %
Echinococcus granulosus	allatostatin A receptor	B1 bradykinin receptor	352 aa	311 aa	25.7 %
Schistosoma mansoni	opsin-like receptor	B1 bradykinin receptor	352 aa	298 aa	25.2 %
Onchocerca volvulus		B1 bradykinin receptor	352 aa	331 aa	19.0 %
Brugia malayi	putative neuropeptide receptor NPR1	B1 bradykinin receptor	352 aa	343 aa	24.5 %
Onchocerca volvulus		B1 bradykinin receptor	352 aa	318 aa	25.2 %
Brugia malayi	G-protein coupled receptor	B1 bradykinin receptor	352 aa	282 aa	23.4 %
Echinococcus granulosus	thyrotropin releasing hormone receptor	B1 bradykinin receptor	352 aa	338 aa	21.9 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	B1 bradykinin receptor	352 aa	326 aa	22.4 %
Onchocerca volvulus		B1 bradykinin receptor	352 aa	284 aa	25.0 %
Echinococcus multilocularis	g protein coupled receptor	B1 bradykinin receptor	352 aa	332 aa	21.4 %
Schistosoma japonicum	ko:K04135 adrenergic receptor, alpha 1a, putative	B1 bradykinin receptor	352 aa	333 aa	21.0 %
Echinococcus multilocularis	neuropeptide receptor	B1 bradykinin receptor	352 aa	313 aa	25.6 %
Onchocerca volvulus	Mitochondrial inner membrane protein homolog	B1 bradykinin receptor	352 aa	341 aa	22.9 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	B1 bradykinin receptor	352 aa	318 aa	23.9 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	B1 bradykinin receptor	352 aa	307 aa	23.8 %
Onchocerca volvulus		B1 bradykinin receptor	352 aa	380 aa	20.8 %
Onchocerca volvulus	Programmed cell death protein 5 homolog	B1 bradykinin receptor	352 aa	283 aa	20.5 %
Loa Loa (eye worm)	hypothetical protein	B1 bradykinin receptor	352 aa	309 aa	24.6 %
Onchocerca volvulus		B1 bradykinin receptor	352 aa	323 aa	23.5 %
Onchocerca volvulus		B1 bradykinin receptor	352 aa	314 aa	22.0 %
Echinococcus multilocularis	allatostatin A receptor	B1 bradykinin receptor	352 aa	311 aa	25.7 %
Schistosoma japonicum	Rhodopsin, putative	B1 bradykinin receptor	352 aa	326 aa	22.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	cysteine protease, putative	0.0506	0.2719	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0506	0.2719	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.0294	0.148	0.148
Echinococcus granulosus	histone lysine methyltransferase setb	0.0068	0.0157	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0643	0.3522	0.3522
Echinococcus multilocularis	cysteine protease	0.0937	0.5242	0.5242
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0212	0.0999	0.1905
Loa Loa (eye worm)	hypothetical protein	0.0294	0.148	0.148
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0212	0.0999	0.1905
Loa Loa (eye worm)	hypothetical protein	0.0241	0.1169	0.1169
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0937	0.5242	1
Leishmania major	cathepsin L-like protease	0.0937	0.5242	1
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0212	0.0999	0.1905
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0937	0.5242	1
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0212	0.0999	0.0999
Plasmodium vivax	serine-repeat antigen (SERA)	0.0212	0.0999	0.1905
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0212	0.0999	0.1905
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0212	0.0999	0.0999
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0255	0.0255
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0068	0.0156	0.0156
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0212	0.0999	0.1905
Brugia malayi	cathepsin F-like cysteine proteinase	0.0294	0.148	0.148
Trypanosoma cruzi	cysteine peptidase, putative	0.0506	0.2719	0.2719
Plasmodium vivax	serine-repeat antigen (SERA)	0.0212	0.0999	0.1905
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0212	0.0999	0.0999
Schistosoma mansoni	cathepsin F (C01 family)	0.0643	0.3522	0.3522
Mycobacterium ulcerans	lipase LipD	0.0041	0	0.5
Schistosoma mansoni	cathepsin B (C01 family)	0.0212	0.0999	0.0999
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0212	0.0999	0.1905
Trichomonas vaginalis	conserved hypothetical protein	0.0212	0.0999	0.1905
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0473	0.2528	0.2528
Brugia malayi	Cathepsin L-like precursor	0.0937	0.5242	0.5242
Brugia malayi	Papain family cysteine protease containing protein	0.0212	0.0999	0.0999
Echinococcus granulosus	cathepsin l1	0.0643	0.3522	0.3522
Echinococcus multilocularis	cathepsin b	0.175	1	1
Loa Loa (eye worm)	hypothetical protein	0.0212	0.0999	0.0999
Leishmania major	cathepsin L-like protease	0.0937	0.5242	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.009	0.009
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0055	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0937	0.5242	0.5242
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0506	0.2719	0.2719
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.009	0.009
Onchocerca volvulus		0.0068	0.0157	0.0299
Schistosoma mansoni	cathepsin F (C01 family)	0.0937	0.5242	0.5242
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0068	0.0157	0.0157
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0937	0.5242	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0937	0.5242	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0937	0.5242	0.5242
Brugia malayi	cathepsin L-like cysteine proteinase	0.0212	0.0999	0.0999
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.0212	0.0999	0.1905
Loa Loa (eye worm)	hypothetical protein	0.0212	0.0999	0.0999
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.175	1	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0068	0.0157	0.0157
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0937	0.5242	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0212	0.0999	0.0999
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0212	0.0999	0.1905
Mycobacterium ulcerans	beta-lactamase	0.0041	0	0.5
Onchocerca volvulus	Cathepsin L homolog	0.0212	0.0999	0.1905
Echinococcus granulosus	cathepsin b	0.175	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0937	0.5242	0.5242
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0046	0.003	0.003
Brugia malayi	cathepsin F-like cysteine proteinase	0.0212	0.0999	0.0999
Brugia malayi	Cathepsin L-like precursor	0.0937	0.5242	0.5242
Onchocerca volvulus	Cathepsin F homolog	0.0937	0.5242	1
Schistosoma mansoni	survival motor neuron protein	0.0049	0.0047	0.0047
Entamoeba histolytica	cysteine protease, putative	0.0506	0.2719	0.4054
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.0047	0.0047
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0937	0.5242	1
Onchocerca volvulus		0.0937	0.5242	1
Loa Loa (eye worm)	hypothetical protein	0.0687	0.378	0.378
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.175	1	1
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0085	0.0255	0.0255
Brugia malayi	cathepsin L precursor	0.0212	0.0999	0.0999
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0937	0.5242	1
Entamoeba histolytica	cysteine protease, putative	0.0937	0.5242	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0937	0.5242	0.5242
Schistosoma mansoni	hypothetical protein	0.0049	0.0047	0.0047
Entamoeba histolytica	cysteine protease, putative	0.0506	0.2719	0.4054
Brugia malayi	Papain family cysteine protease containing protein	0.0506	0.2719	0.2719
Loa Loa (eye worm)	cysteine protease	0.0937	0.5242	0.5242
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0068	0.0157	0.0157
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0937	0.5242	1
Brugia malayi	fibroinase precursor	0.0212	0.0999	0.0999
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0937	0.5242	0.5242
Trypanosoma cruzi	cysteine proteinase, putative	0.0506	0.2719	0.2719
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0937	0.5242	1
Onchocerca volvulus		0.0937	0.5242	1
Mycobacterium leprae	Probable lipase LipE	0.0041	0	0.5
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.175	1	1
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.0212	0.0999	0.1905
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0643	0.3522	0.6718
Brugia malayi	Pre-SET motif family protein	0.0068	0.0157	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0212	0.0999	0.0999
Brugia malayi	Cathepsin L-like precursor	0.0937	0.5242	0.5242
Onchocerca volvulus		0.0085	0.0255	0.0487
Loa Loa (eye worm)	cathepsin B	0.0687	0.3782	0.3782
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0937	0.5242	1
Leishmania major	cathepsin L-like protease	0.0937	0.5242	1
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0085	0.0255	0.0255
Entamoeba histolytica	cysteine protease, putative	0.0506	0.2719	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0506	0.2719	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0212	0.0999	0.0999
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0937	0.5242	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.0212	0.0999	0.1905
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0937	0.5242	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0241	0.1169	0.1169
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0937	0.5242	0.5242
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0212	0.0999	0.1905
Entamoeba histolytica	cysteine proteinase, putative	0.0506	0.2719	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.175	1	1
Schistosoma mansoni	cathepsin S (C01 family)	0.0212	0.0999	0.0999
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0212	0.0999	0.1905
Entamoeba histolytica	cysteine protease, putative	0.0506	0.2719	0.4054
Onchocerca volvulus		0.0687	0.378	0.721
Plasmodium vivax	vivapain-2	0.0937	0.5242	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0643	0.3522	0.3522
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.0212	0.0999	0.1905
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0937	0.5242	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0937	0.5242	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0937	0.5242	1
Echinococcus multilocularis	cathepsin L	0.0506	0.2719	0.2719
Entamoeba histolytica	cysteine proteinase, putative	0.0506	0.2719	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0937	0.5242	1
Leishmania major	cathepsin L-like protease	0.0937	0.5242	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0212	0.0999	0.0999
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0212	0.0999	0.1905
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0294	0.148	0.148
Onchocerca volvulus	Cathepsin L homolog	0.0937	0.5242	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.0212	0.0999	0.1905
Onchocerca volvulus		0.0937	0.5242	1
Plasmodium vivax	vivapain-2	0.0937	0.5242	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0937	0.5242	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0506	0.2719	0.4054
Onchocerca volvulus		0.0212	0.0999	0.1905
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0212	0.0999	0.1905
Echinococcus granulosus	cathepsin b	0.175	1	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0157	0.0157
Brugia malayi	Cathepsin L-like precursor	0.0643	0.3522	0.3522
Loa Loa (eye worm)	hypothetical protein	0.0212	0.0999	0.0999
Brugia malayi	Papain family cysteine protease containing protein	0.0506	0.2719	0.2719
Entamoeba histolytica	cysteine protease, putative	0.0506	0.2719	0.4054
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0212	0.0999	0.1905
Brugia malayi	hypothetical protein	0.0687	0.378	0.378
Trypanosoma cruzi	cruzipain precursor, putative	0.0294	0.148	0.148
Plasmodium vivax	unspecified product	0.0294	0.148	0.2824
Entamoeba histolytica	cysteine proteinase, putative	0.0643	0.3522	0.5946
Loa Loa (eye worm)	glutamate receptor	0.0055	0.0082	0.0082
Trypanosoma cruzi	cysteine peptidase, putative	0.0937	0.5242	0.5242
Entamoeba histolytica	cysteine proteinase, putative	0.0506	0.2719	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0156	0.0156
Toxoplasma gondii	cathepsin B	0.0687	0.3782	0.7215
Plasmodium vivax	vivapain-3	0.0506	0.2719	0.5187
Toxoplasma gondii	cathepsin CPC2	0.0212	0.0999	0.1905
Schistosoma mansoni	cathepsin C	0.0212	0.0999	0.0999
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0085	0.0255	0.0255
Giardia lamblia	Cathepsin B precursor	0.0687	0.3782	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0041	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0643	0.3522	0.3522
Leishmania major	cathepsin L-like protease	0.0937	0.5242	1
Onchocerca volvulus		0.0937	0.5242	1
Loa Loa (eye worm)	hypothetical protein	0.0212	0.0999	0.0999
Trypanosoma cruzi	cysteine protease, putative	0.0506	0.2719	0.2719
Echinococcus multilocularis	cysteine protease	0.0937	0.5242	0.5242
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0937	0.5242	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0937	0.5242	0.5242
Loa Loa (eye worm)	hypothetical protein	0.0643	0.3522	0.3522
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0937	0.5242	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0212	0.0999	0.0999
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0937	0.5242	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.0212	0.0999	0.1905
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0506	0.2719	0.5187
Echinococcus granulosus	survival motor neuron protein 1	0.0241	0.1169	0.1169
Leishmania major	cysteine peptidase A (CPA)	0.0937	0.5242	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0212	0.0999	0.1905
Loa Loa (eye worm)	hypothetical protein	0.0212	0.0999	0.0999
Entamoeba histolytica	cysteine protease, putative	0.0506	0.2719	0.4054
Echinococcus multilocularis	cathepsin L	0.0212	0.0999	0.0999
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0937	0.5242	0.5242
Giardia lamblia	Cathepsin B precursor	0.0687	0.3782	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0937	0.5242	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0937	0.5242	0.5242
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.009	0.009
Plasmodium vivax	unspecified product	0.0506	0.2719	0.5187
Loa Loa (eye worm)	fibroinase	0.0937	0.5242	0.5242
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0212	0.0999	0.0999
Brugia malayi	cathepsin L-like precursor	0.0643	0.3522	0.3522
Brugia malayi	Cathepsin L-like precursor	0.0937	0.5242	0.5242
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0937	0.5242	1
Trichomonas vaginalis	conserved hypothetical protein	0.0212	0.0999	0.1905
Echinococcus multilocularis	cathepsin b	0.175	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0937	0.5242	0.5242
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0506	0.2719	0.2719
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0212	0.0999	0.0999
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0506	0.2719	0.5187
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0212	0.0999	0.1905
Brugia malayi	Cathepsin L-like precursor	0.0643	0.3522	0.3522
Entamoeba histolytica	cysteine protease, putative	0.0506	0.2719	0.4054
Leishmania major	cathepsin L-like protease	0.0937	0.5242	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0262	0.1295	1
Plasmodium vivax	vivapain-1	0.0506	0.2719	0.5187
Brugia malayi	Cathepsin L-like precursor	0.0937	0.5242	0.5242
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0212	0.0999	0.1905
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0937	0.5242	1
Onchocerca volvulus		0.0643	0.3522	0.6718
Echinococcus granulosus	L aminoadipate semialdehyde	0.0085	0.0255	0.0255
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0937	0.5242	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0937	0.5242	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0937	0.5242	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0068	0.0157	0.0157
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0506	0.2719	0.2719
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0068	0.0157	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0056	0.009	0.009
Echinococcus multilocularis	cathepsin L cysteine protease	0.0937	0.5242	0.5242
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.0212	0.0999	0.1905
Onchocerca volvulus		0.0937	0.5242	1
Onchocerca volvulus		0.0049	0.0047	0.009
Entamoeba histolytica	cysteine proteinase 2	0.0506	0.2719	0.4054
Schistosoma mansoni	cathepsin s	0.0294	0.148	0.148
Brugia malayi	Cathepsin L-like precursor	0.0937	0.5242	0.5242
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0212	0.0999	0.0999
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0294	0.148	0.148
Plasmodium vivax	unspecified product	0.0212	0.0999	0.1905
Entamoeba histolytica	cysteine proteinase, putative	0.0937	0.5242	1
Entamoeba histolytica	cysteine protease, putative	0.0506	0.2719	0.4054
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0506	0.2719	0.2719
Entamoeba histolytica	cysteine protease, putative	0.0506	0.2719	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0937	0.5242	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0937	0.5242	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0068	0.0157	0.0157
Echinococcus granulosus	cathepsin l1	0.0937	0.5242	0.5242
Onchocerca volvulus		0.0937	0.5242	1
Loa Loa (eye worm)	hypothetical protein	0.0294	0.148	0.148
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0937	0.5242	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0687	0.3782	0.7215
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0937	0.5242	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.175	1	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0068	0.0157	0.0299
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0212	0.0999	0.1905
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0212	0.0999	0.1905
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.0212	0.0999	0.1905
Loa Loa (eye worm)	hypothetical protein	0.0294	0.148	0.148
Brugia malayi	hypothetical protein	0.0241	0.1169	0.1169
Mycobacterium ulcerans	esterase/lipase LipP	0.0041	0	0.5
Echinococcus granulosus	cathepsin L	0.0506	0.2719	0.2719
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0212	0.0999	0.0999
Loa Loa (eye worm)	ctsf protein	0.0937	0.5242	0.5242
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0212	0.0999	0.0999
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0212	0.0999	0.0999
Brugia malayi	Papain family cysteine protease containing protein	0.0212	0.0999	0.0999
Loa Loa (eye worm)	hypothetical protein	0.175	1	1
Echinococcus granulosus	cysteine protease	0.0506	0.2719	0.2719
Trypanosoma cruzi	cysteine peptidase, putative	0.0937	0.5242	0.5242
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0643	0.3522	0.3522
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0212	0.0999	0.0999
Mycobacterium ulcerans	hypothetical protein	0.0041	0	0.5
Trichomonas vaginalis	set domain proteins, putative	0.0538	0.2911	0.5552
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0212	0.0999	0.0999
Mycobacterium leprae	conserved hypothetical protein	0.0041	0	0.5
Echinococcus granulosus	cathepsin L	0.0212	0.0999	0.0999
Trypanosoma cruzi	major cysteine proteinase, putative	0.0212	0.0999	0.0999
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0937	0.5242	1
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.005	0.0052	0.0052
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0046	0.003	0.003
Plasmodium vivax	SET domain protein, putative	0.0068	0.0157	0.0299
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0063	0.0126	0.0126
Leishmania major	cathepsin L-like protease	0.0937	0.5242	1
Entamoeba histolytica	cysteine proteinase, putative	0.0506	0.2719	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0937	0.5242	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0937	0.5242	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0937	0.5242	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0937	0.5242	0.5242
Schistosoma mansoni	metabotropic glutamate receptor	0.0046	0.003	0.003
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0937	0.5242	0.5242
Giardia lamblia	Cathepsin B precursor	0.0687	0.3782	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.0212	0.0999	0.1905
Entamoeba histolytica	cysteine protease, putative	0.0506	0.2719	0.4054
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0687	0.3782	0.3782
Brugia malayi	Pre-SET motif family protein	0.0473	0.2528	0.2528
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0937	0.5242	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0687	0.3782	0.3782
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0065	0.0142	0.0142
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0506	0.2719	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0937	0.5242	1
Onchocerca volvulus	Cathepsin L homolog	0.0937	0.5242	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0506	0.2719	0.5187
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0937	0.5242	1
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0068	0.0156	0.0156
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0643	0.3522	0.6718
Brugia malayi	Cathepsin L-like precursor	0.0294	0.148	0.148
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0937	0.5242	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0937	0.5242	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0687	0.3782	0.7215
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0212	0.0999	0.1905
Onchocerca volvulus		0.0937	0.5242	1
Toxoplasma gondii	cathepsin CPC1	0.0212	0.0999	0.1905
Onchocerca volvulus		0.0538	0.2911	0.5552
Leishmania major	cathepsin L-like protease	0.0937	0.5242	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0506	0.2719	0.5187
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0937	0.5242	1
Brugia malayi	Papain family cysteine protease containing protein	0.0212	0.0999	0.0999
Trypanosoma cruzi	major cysteine proteinase, putative	0.0212	0.0999	0.0999
Echinococcus granulosus	cathepsin L cysteine protease	0.0506	0.2719	0.2719
Toxoplasma gondii	cathepsin CPL	0.0937	0.5242	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0937	0.5242	0.5242
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0212	0.0999	0.1905
Trypanosoma cruzi	cysteine proteinase, putative	0.0506	0.2719	0.2719
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0687	0.3782	0.7215

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 3219 nM	Antagonist activity at Cynomolgus monkey bradykinin B1 receptor expressed in CHO cells assessed as calcium transient by FLIPR assay	ChEMBL.	18752949

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: CHEMBL483036

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 983368