TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 230.223 | Formula: C11H10N4O2
H donors: 1 H acceptors: 3 LogP: 1.25 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1c(OC)cccc1c1n[nH]nc1C#N
InChi: 1S/C11H10N4O2/c1-16-9-5-3-4-7(11(9)17-2)10-8(6-12)13-15-14-10/h3-5H,1-2H3,(H,13,14,15)
InChiKey: NSQUWOUGEKUVKL-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
Echinococcus granulosus	cyclin B3 1	0.0096	0.0209	0.0101
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0085	0.011	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0142	0.0632	0.0612
Trichomonas vaginalis	proprotein convertase subtilisin/kexin type, putative	0.0227	0.1404	0.213
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0278	0.186	0.2942
Onchocerca volvulus		0.0085	0.011	0.0948
Loa Loa (eye worm)	hypothetical protein	0.1176	1	1
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0085	0.011	0.0948
Loa Loa (eye worm)	integrin beta-2	0.0961	0.8049	0.8045
Echinococcus multilocularis	neuroendocrine convertase 2	0.0739	0.604	0.7575
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.0112	0.036	0.0339
Echinococcus multilocularis	aminopeptidase N	0.0119	0.0426	0.0404
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0278	0.186	0.2942
Brugia malayi	Serotonin receptor	0.0085	0.011	0.0088
Echinococcus granulosus	cyclins	0.0096	0.0209	0.0101
Brugia malayi	G protein-coupled receptor	0.0085	0.011	0.0088
Echinococcus multilocularis	cyclins	0.0096	0.0209	0.0127
Brugia malayi	hypothetical protein	0.0085	0.011	0.0088
Schistosoma mansoni	hypothetical protein	0.0405	0.3017	0.294
Onchocerca volvulus		0.0085	0.011	0.0948
Brugia malayi	hypothetical protein	0.0148	0.0682	0.0662
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0085	0.0063
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0148	0.0682	0.0662
Giardia lamblia	High cysteine membrane protein Group 2	0.0437	0.3303	1
Onchocerca volvulus		0.0085	0.011	0.0948
Echinococcus granulosus	endothelin converting enzyme 1	0.0188	0.1047	0.0948
Schistosoma mansoni	integrin beta subunit	0.0561	0.4426	0.4364
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0177	0.0951	0.0931
Trichomonas vaginalis	conserved hypothetical protein	0.0227	0.1404	0.213
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Echinococcus granulosus	cyclins	0.0096	0.0209	0.0101
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0096	0.0209	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0188	0.1047	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0085	0.0063
Echinococcus multilocularis	expressed protein	0.0362	0.2625	0.3213
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Echinococcus granulosus	expressed protein	0.0362	0.2625	0.2543
Toxoplasma gondii	peptidase family M13 protein	0.0188	0.1047	1
Echinococcus multilocularis	proprotein convertase subtilisin:kexin type 5	0.0715	0.582	0.7294
Echinococcus granulosus	cyclin b3	0.0096	0.0209	0.0101
Brugia malayi	RE15519p	0.0085	0.011	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Trichomonas vaginalis	cyclin B, putative	0.0177	0.0951	0.1322
Brugia malayi	neuropeptide F receptor	0.0085	0.011	0.0088
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0096	0.0209	0.0101
Trypanosoma cruzi	cyclin, putative	0.0177	0.0951	0.5
Echinococcus multilocularis	cyclins	0.0096	0.0209	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Echinococcus multilocularis	cyclins	0.0096	0.0209	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0085	0.011	0.0088
Onchocerca volvulus		0.0085	0.011	0.0948
Loa Loa (eye worm)	hypothetical protein	0.0188	0.1047	0.1028
Trichomonas vaginalis	hypothetical protein	0.0227	0.1404	0.213
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Echinococcus granulosus	cyclins	0.0096	0.0209	0.0101
Trichomonas vaginalis	conserved hypothetical protein	0.0227	0.1404	0.213
Echinococcus granulosus	neuropeptide FF receptor 2	0.0304	0.2095	0.2008
Echinococcus multilocularis	cyclins	0.0096	0.0209	0.0127
Echinococcus multilocularis	G protein coupled receptor 139	0.0237	0.1493	0.1768
Brugia malayi	Serotonin receptor	0.0085	0.011	0.0088
Trichomonas vaginalis	conserved hypothetical protein	0.0227	0.1404	0.213
Loa Loa (eye worm)	hypothetical protein	0.0142	0.0632	0.0612
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Loa Loa (eye worm)	melatonin receptor type 1A	0.0085	0.011	0.0088
Entamoeba histolytica	cyclin, putative	0.0177	0.0951	1
Echinococcus multilocularis	cyclins	0.0096	0.0209	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0177	0.0951	0.0931
Trichomonas vaginalis	cyclins, putative	0.0177	0.0951	0.1322
Echinococcus multilocularis	neuropeptide receptor	0.0237	0.1493	0.1768
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0085	0.011	0.0948
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0602	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0142	0.0632	0.0612
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0278	0.186	0.2942
Mycobacterium ulcerans	zinc metalloprotease	0.0188	0.1047	0.5
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0177	0.0951	0.5
Trichomonas vaginalis	cyclin A, putative	0.0177	0.0951	0.1322
Brugia malayi	Peptidase family M1 containing protein	0.0119	0.0426	0.0405
Echinococcus multilocularis	dnaJ subfamily B	0.0405	0.3017	0.3714
Echinococcus granulosus	neuroendocrine convertase 2	0.0739	0.604	0.5996
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0278	0.186	0.2942
Trichomonas vaginalis	conserved hypothetical protein	0.0227	0.1404	0.213
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0602	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Loa Loa (eye worm)	neuropeptide F receptor	0.0085	0.011	0.0088
Mycobacterium tuberculosis	Probable zinc metalloprotease Zmp1	0.0188	0.1047	0.5
Trichomonas vaginalis	cyclin B, putative	0.0177	0.0951	0.1322
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Trichomonas vaginalis	cyclins, putative	0.0177	0.0951	0.1322
Brugia malayi	follicle stimulating hormone receptor	0.0085	0.011	0.0088
Brugia malayi	larval opioid receptor	0.0085	0.011	0.0088
Brugia malayi	Myb-like DNA-binding domain containing protein	0.0167	0.0855	0.0835
Onchocerca volvulus		0.0085	0.011	0.0948
Loa Loa (eye worm)	G-protein coupled receptor	0.0085	0.011	0.0088
Schistosoma mansoni	cyclins	0.0096	0.0209	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Echinococcus granulosus	aminopeptidase N	0.0119	0.0426	0.032
Loa Loa (eye worm)	hypothetical protein	0.0142	0.0632	0.0612
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Brugia malayi	Dopamine receptor protein 1	0.0085	0.011	0.0088
Brugia malayi	Dopamine receptor	0.0085	0.011	0.0088
Plasmodium falciparum	cyclin	0.0096	0.0209	0.5
Echinococcus granulosus	proprotein convertase subtilisin:kexin type 5	0.0715	0.582	0.5774
Loa Loa (eye worm)	cyclin domain-containing protein	0.0096	0.0209	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Onchocerca volvulus		0.0085	0.011	0.0948
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0142	0.0632	0.0612
Brugia malayi	AKH receptor	0.0085	0.011	0.0088
Echinococcus multilocularis	cyclin B	0.0177	0.0951	0.1075
Brugia malayi	Integrin beta pat-3 precursor	0.0961	0.8049	0.8045
Brugia malayi	putative neuropeptide receptor	0.0085	0.011	0.0088
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0095	0.0203	0.0094
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0095	0.0203	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0304	0.2095	0.2537
Loa Loa (eye worm)	hypothetical protein	0.0304	0.2095	0.2078
Echinococcus granulosus	cyclins	0.0096	0.0209	0.0101
Onchocerca volvulus		0.0093	0.0187	0.1783
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0187	0.0166
Echinococcus granulosus	cyclins	0.0096	0.0209	0.0101
Onchocerca volvulus		0.0119	0.0426	0.4351
Onchocerca volvulus		0.0085	0.011	0.0948
Schistosoma mansoni	cyclin B	0.0177	0.0951	0.0851
Trypanosoma cruzi	cyclin 6, putative	0.0177	0.0951	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0227	0.1404	0.213
Schistosoma mansoni	hypothetical protein	0.0227	0.1404	0.1309
Echinococcus multilocularis	cyclin B3 1	0.0096	0.0209	0.0127
Schistosoma mansoni	neprilysin-2 (M13 family)	0.0095	0.0203	0.0094
Brugia malayi	hypothetical protein	0.0085	0.011	0.0088
Schistosoma mansoni	hypothetical protein	0.0101	0.0255	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0085	0.011	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Echinococcus multilocularis	cyclin b3	0.0096	0.0209	0.0127
Brugia malayi	putative neuropeptide receptor NPR1	0.0085	0.011	0.0088
Echinococcus granulosus	dnaJ subfamily B	0.0405	0.3017	0.294
Echinococcus granulosus	integrin alpha 3	0.0114	0.0374	0.0267
Loa Loa (eye worm)	hypothetical protein	0.0167	0.0855	0.0835
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Brugia malayi	Kelch motif family protein	0.0148	0.0682	0.0662
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Brugia malayi	hypothetical protein	0.0085	0.011	0.0088
Trichomonas vaginalis	conserved hypothetical protein	0.0227	0.1404	0.213
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0602	0.0582
Brugia malayi	Melatonin receptor type 1A	0.0085	0.011	0.0088
Brugia malayi	hypothetical protein	0.0085	0.011	0.0088
Echinococcus multilocularis	integrin alpha 3	0.0114	0.0374	0.0337
Echinococcus granulosus	cyclin B	0.0177	0.0951	0.0851
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0085	0.011	0.0088
Schistosoma mansoni	cyclin B3	0.0096	0.0209	0.0101
Echinococcus granulosus	furin	0.1176	1	1
Trichomonas vaginalis	leucine-rich repeat protein, BspA family	0.0227	0.1404	0.213
Trichomonas vaginalis	cyclins, putative	0.0105	0.0294	0.0151
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0304	0.2095	0.2078
Loa Loa (eye worm)	TYRA-2 protein	0.0085	0.011	0.0088
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0085	0.011	0.0088
Onchocerca volvulus		0.0085	0.011	0.0948
Trichomonas vaginalis	cyclin B, putative	0.0177	0.0951	0.1322
Brugia malayi	celfurPC protein	0.0948	0.7939	0.7934
Schistosoma mansoni	neuropeptide receptor	0.0237	0.1493	0.1399
Onchocerca volvulus		0.0085	0.011	0.0948
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0159	0.0782	0.0762
Onchocerca volvulus		0.0085	0.011	0.0948
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Brugia malayi	G-protein coupled receptor	0.0085	0.011	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0398	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Brugia malayi	neuropeptide F receptor	0.0085	0.011	0.0088
Brugia malayi	hypothetical protein	0.0085	0.011	0.0088
Trichomonas vaginalis	conserved hypothetical protein	0.0227	0.1404	0.213
Brugia malayi	G protein-coupled receptor F59B2.13	0.0085	0.011	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0461	0.3523	0.3509
Loa Loa (eye worm)	hypothetical protein	0.0177	0.0951	0.0931
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0096	0.0209	0.0188
Brugia malayi	hypothetical protein	0.0085	0.011	0.0088
Loa Loa (eye worm)	G-protein coupled receptor	0.0085	0.011	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Mycobacterium leprae	probable zinc metalloprotease	0.0188	0.1047	0.5
Brugia malayi	Peptidase family M13 containing protein	0.0188	0.1047	0.1028
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0278	0.186	0.2942
Echinococcus multilocularis	cyclins	0.0096	0.0209	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0148	0.0682	0.0662
Brugia malayi	sulfakinin receptor protein	0.0085	0.011	0.0088
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0085	0.011	0.0088
Schistosoma mansoni	Nep2 peptidase (M13 family)	0.0095	0.0203	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0314	0.0293
Loa Loa (eye worm)	STAT protein	0.0159	0.0782	0.0762
Schistosoma mansoni	furin-1 (S08 family)	0.0511	0.3978	0.3912
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0278	0.186	0.2942
Brugia malayi	GnHR receptor homolog	0.0085	0.011	0.0088
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0085	0.011	0.0088
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0085	0.011	0.0088
Loa Loa (eye worm)	proprotein convertase 2	0.0278	0.186	0.1842
Brugia malayi	Dopamine receptor protein 2	0.0085	0.011	0.0088
Loa Loa (eye worm)	neuropeptide F receptor	0.0085	0.011	0.0088
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0139	0.0602	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Trichomonas vaginalis	cyclins, putative	0.0177	0.0951	0.1322
Echinococcus multilocularis	integrin beta 2	0.0709	0.5765	0.7224
Brugia malayi	neuroendocrine convertase 1 precursor	0.0739	0.604	0.6031
Giardia lamblia	G2/mitotic-specific cyclin B	0.0177	0.0951	0.2398
Loa Loa (eye worm)	hypothetical protein	0.0177	0.0951	0.0931
Onchocerca volvulus		0.0085	0.011	0.0948
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0085	0.011	0.0088
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0177	0.0951	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0715	0.582	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0085	0.011	0.0088
Onchocerca volvulus		0.0085	0.011	0.0948
Brugia malayi	hypothetical protein	0.0085	0.011	0.0088
Echinococcus multilocularis		0.0948	0.7939	1
Trypanosoma brucei	mitotic cyclin 6	0.0177	0.0951	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Brugia malayi	G-protein coupled receptor	0.0085	0.011	0.0088
Brugia malayi	hypothetical protein	0.0085	0.011	0.0088
Brugia malayi	Hypothetical zinc metalloproteinase T16A9.4	0.0188	0.1047	0.1028
Loa Loa (eye worm)	endoprotease bli-4	0.1176	1	1
Giardia lamblia	Furin precursor putative serine protease	0.0227	0.1404	0.3863
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Echinococcus multilocularis	endothelin converting enzyme 1	0.0188	0.1047	0.1197
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Trichomonas vaginalis	conserved hypothetical protein	0.0227	0.1404	0.213
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.0095	0.0203	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0602	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0112	0.036	0.0339
Onchocerca volvulus	CoRest homolog	0.0172	0.0899	0.9446
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0097	0.0219	0.0198
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0715	0.582	1
Loa Loa (eye worm)	hypothetical protein	0.0172	0.0899	0.088
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Loa Loa (eye worm)	integrin alpha pat-2	0.0229	0.1416	0.1397
Brugia malayi	Integrin alpha pat-2 precursor	0.0148	0.0687	0.0667
Echinococcus granulosus	integrin beta 2	0.0709	0.5765	0.5718
Loa Loa (eye worm)	hypothetical protein	0.0142	0.0632	0.0612
Brugia malayi	hypothetical protein	0.0085	0.011	0.0088
Trichomonas vaginalis	neuroendocrine convertase 2 precursor, putative	0.0227	0.1404	0.213
Trichomonas vaginalis	conserved hypothetical protein	0.0227	0.1404	0.213
Brugia malayi	hypothetical protein	0.0085	0.011	0.0088
Echinococcus granulosus	Furin 1	0.0278	0.186	0.177
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.1176	1	1
Onchocerca volvulus		0.0085	0.011	0.0948
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0107	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Trichomonas vaginalis	conserved hypothetical protein	0.0227	0.1404	0.213
Trichomonas vaginalis	conserved hypothetical protein	0.0227	0.1404	0.213
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Echinococcus multilocularis	Furin 1	0.0278	0.186	0.2236
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0085	0.011	0.0088
Onchocerca volvulus		0.0085	0.011	0.0948
Onchocerca volvulus		0.0085	0.011	0.0948
Onchocerca volvulus		0.0177	0.0951	1
Onchocerca volvulus		0.0085	0.011	0.0948
Trypanosoma cruzi	cyclin, putative	0.0177	0.0951	0.5
Loa Loa (eye worm)	hypothetical protein	0.0188	0.1047	0.1028
Onchocerca volvulus		0.0085	0.011	0.0948
Trichomonas vaginalis	cyclin B, putative	0.0177	0.0951	0.1322
Brugia malayi	ORL1-like opioid receptor	0.0085	0.011	0.0088
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0188	0.1047	0.0948
Echinococcus granulosus	neuropeptide receptor	0.0237	0.1493	0.1399
Schistosoma mansoni	subfamily S8B non-peptidase homologue (S08 family)	0.0278	0.186	0.177
Brugia malayi	proprotein convertase 2	0.0739	0.604	0.6031
Schistosoma mansoni	integrin alpha	0.0148	0.0687	0.0584
Leishmania major	cyclin	0.0177	0.0951	0.5
Trichomonas vaginalis	cyclins, putative	0.0177	0.0951	0.1322
Echinococcus multilocularis	cyclins	0.0096	0.0209	0.0127
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0139	0.0602	0.0582

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 50 uM	Inhibition of HER2 tyrosine kinase phosphorylation in human MDA-MB-453 cells by Western blot assay	ChEMBL.	17174554
IC50 (binding)	> 50 uM	Inhibition of HER2 tyrosine kinase phosphorylation in human MDA-MB-453 cells by Western blot assay	ChEMBL.	17174554
IC50 (functional)	= 241.9 uM	Growth inhibition of human MDA-MB-453 cells by MTT assay	ChEMBL.	17174554
IC50 (functional)	= 241.9 uM	Growth inhibition of human MDA-MB-453 cells by MTT assay	ChEMBL.	17174554

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: CHEMBL396897

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 452402