TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 485.968 | Formula: C26H24ClN7O
H donors: 1 H acceptors: 4 LogP: 4.35 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCC(CC1)c1ccc(cc1)Nc1ncc2c(n1)n1ccnc1n(c2=O)c1ccccc1Cl
InChi: 1S/C26H24ClN7O/c1-32-13-10-18(11-14-32)17-6-8-19(9-7-17)30-25-29-16-20-23(31-25)33-15-12-28-26(33)34(24(20)35)22-5-3-2-4-21(22)27/h2-9,12,15-16,18H,10-11,13-14H2,1H3,(H,29,30,31)
InChiKey: HLCFJKUJLMXDCF-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	WEE1 G2 checkpoint kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma brucei gambiense	serine/threonine-protein kinase, putative,protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Trypanosoma cruzi	Wee1-like protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania mexicana	protein kinase, putative,serine/threonine protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania braziliensis	serine/threonine-protein kinase, putative,protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania infantum	serine/threonine-protein kinase, putative,protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania mexicana	serine/threonine-protein kinase, putative,protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania major	protein kinase, putative,serine/threonine protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania infantum	protein kinase, putative,serine/threonine protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania braziliensis	protein kinase, putative,serine/threonine protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania donovani	protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Trypanosoma brucei	wee1-like protein kinase	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Trypanosoma cruzi	Wee1-like protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Leishmania donovani	Wee1-like protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Trypanosoma cruzi	Wee1-like protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875
Trypanosoma congolense	Wee1-like protein kinase, putative	Get druggable targets OG5_129875	All targets in OG5_129875

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 multilocularis	cathepsin L cysteine protease	0.1395	0.5052	0.5049
Brugia malayi	Cathepsin L-like precursor	0.0958	0.3465	0.3462
Loa Loa (eye worm)	hypothetical protein	0.0319	0.1139	0.1134
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0436	0.1566	0.1561
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0319	0.1139	0.2247
Giardia lamblia	Cathepsin B precursor	0.1072	0.3879	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0755	0.2725	0.2725
Trypanosoma cruzi	cysteine peptidase, putative	0.1395	0.5052	0.4935
Loa Loa (eye worm)	hypothetical protein	0.0958	0.3465	0.3462
Echinococcus granulosus	cathepsin l1	0.0958	0.3465	0.3462
Schistosoma mansoni	voltage-gated potassium channel	0.0007	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0092	0.0087
Entamoeba histolytica	cysteine protease, putative	0.0755	0.2725	0.4054
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.1072	0.3879	0.7569
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0755	0.2725	0.5175
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1395	0.5052	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0436	0.1566	0.1367
Schistosoma mansoni	voltage-gated potassium channel	0.001	0.0017	0.0017
Loa Loa (eye worm)	hypothetical protein	0.001	0.0017	0.0012
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1395	0.5052	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1395	0.5052	1
Echinococcus granulosus	cysteine protease	0.0755	0.2725	0.2721
Entamoeba histolytica	cysteine proteinase, putative	0.0755	0.2725	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0319	0.1139	0.2247
Schistosoma mansoni	cathepsin F (C01 family)	0.0958	0.3465	0.3465
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.2755	1	1
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0007	0.0005	0.0005
Schistosoma mansoni	cathepsin B (C01 family)	0.0319	0.1139	0.1139
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0755	0.2725	0.2725
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1395	0.5052	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1395	0.5052	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1395	0.5052	1
Echinococcus multilocularis	cathepsin L	0.0319	0.1139	0.1134
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.2755	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0755	0.2725	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0319	0.1139	0.2247
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1395	0.5052	1
Loa Loa (eye worm)	hypothetical protein	0.0319	0.1139	0.1134
Onchocerca volvulus		0.1395	0.5052	1
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0319	0.1139	0.1134
Echinococcus multilocularis	cysteine protease	0.1395	0.5052	0.5049
Brugia malayi	Papain family cysteine protease containing protein	0.0755	0.2725	0.2721
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0319	0.1139	0.1139
Plasmodium vivax	unspecified product	0.0755	0.2725	0.4054
Leishmania major	cathepsin L-like protease	0.1395	0.5052	1
Entamoeba histolytica	cysteine protease, putative	0.0755	0.2725	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1395	0.5052	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.1395	0.5052	0.5049
Echinococcus multilocularis	cathepsin L cysteine protease	0.1395	0.5052	0.5049
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0958	0.3465	0.3312
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0319	0.1139	0.2247
Giardia lamblia	Cathepsin B precursor	0.1072	0.3879	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1395	0.5052	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0755	0.2725	0.2554
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0007	0.0005	0.0005
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.001	0.0017	0.0012
Leishmania major	cathepsin L-like protease	0.1395	0.5052	1
Entamoeba histolytica	cysteine protease, putative	0.0755	0.2725	0.4054
Trichomonas vaginalis	conserved hypothetical protein	0.0319	0.1139	0.2247
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.1395	0.5052	1
Echinococcus granulosus	cathepsin l1	0.1395	0.5052	0.5049
Entamoeba histolytica	cysteine proteinase, putative	0.1395	0.5052	1
Entamoeba histolytica	cysteine proteinase 2	0.0755	0.2725	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0755	0.2725	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1395	0.5052	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.1072	0.3879	0.7569
Schistosoma mansoni	cathepsin S (C01 family)	0.0319	0.1139	0.1139
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1395	0.5052	1
Onchocerca volvulus		0.0958	0.3465	0.5946
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0319	0.1139	0.2247
Echinococcus granulosus	cathepsin b	0.2755	1	1
Onchocerca volvulus		0.1395	0.5052	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0755	0.2725	0.2554
Leishmania major	cathepsin L-like protease	0.1395	0.5052	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.1395	0.5052	0.5049
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.0122	0.0122
Loa Loa (eye worm)	fibroinase	0.1395	0.5052	0.5049
Loa Loa (eye worm)	ctsf protein	0.1395	0.5052	0.5049
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1395	0.5052	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0036	0.011	0.0104
Brugia malayi	Cathepsin L-like precursor	0.1395	0.5052	0.5049
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.2755	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.1072	0.3879	0.7677
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.1395	0.5052	0.5049
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1395	0.5052	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0036	0.011	0.0104
Plasmodium vivax	vivapain-2	0.1395	0.5052	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.1395	0.5052	1
Schistosoma mansoni	cathepsin F (C01 family)	0.1395	0.5052	0.5052
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1395	0.5052	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1395	0.5052	1
Entamoeba histolytica	cysteine protease, putative	0.0755	0.2725	0.4054
Echinococcus multilocularis	cathepsin b	0.2755	1	1
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0319	0.1139	0.1139
Plasmodium vivax	vivapain-2	0.1395	0.5052	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.2755	1	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0319	0.1139	0.1134
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0319	0.1139	0.2247
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0007	0.0005	0.0005
Echinococcus multilocularis	cathepsin L	0.0755	0.2725	0.2721
Schistosoma mansoni	cathepsin C	0.0319	0.1139	0.1139
Brugia malayi	Cathepsin L-like precursor	0.0436	0.1566	0.1561
Brugia malayi	Papain family cysteine protease containing protein	0.0319	0.1139	0.1134
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0319	0.1139	0.2247
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1395	0.5052	1
Echinococcus granulosus	cathepsin b	0.2755	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0319	0.1139	0.2247
Brugia malayi	Cathepsin L-like precursor	0.0958	0.3465	0.3462
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1395	0.5052	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0436	0.1566	0.1561
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.0122	0.0122
Plasmodium falciparum	cysteine proteinase falcipain 3	0.1395	0.5052	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1395	0.5052	1
Loa Loa (eye worm)	hypothetical protein	0.0319	0.1139	0.1134
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0319	0.1139	0.2247
Loa Loa (eye worm)	hypothetical protein	0.0319	0.1139	0.1134
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1395	0.5052	1
Loa Loa (eye worm)	hypothetical protein	0.0958	0.3465	0.3462
Loa Loa (eye worm)	hypothetical protein	0.0436	0.1566	0.1561
Plasmodium vivax	vivapain-1	0.0755	0.2725	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0755	0.2725	0.5175
Loa Loa (eye worm)	hypothetical protein	0.0319	0.1139	0.1134
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0319	0.1139	0.1139
Echinococcus granulosus	cathepsin L	0.0319	0.1139	0.1134
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.001	0.0017	0.0012
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1395	0.5052	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.0319	0.1139	0.2247
Leishmania major	cathepsin L-like protease	0.1395	0.5052	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0033	0.0101	0.019
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1072	0.3879	0.3879
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1395	0.5052	1
Trypanosoma cruzi	cysteine peptidase, putative	0.1395	0.5052	0.4935
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0319	0.1139	0.1134
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0958	0.3465	0.3462
Brugia malayi	Papain family cysteine protease containing protein	0.0319	0.1139	0.1134
Trypanosoma cruzi	cysteine peptidase, putative	0.0436	0.1566	0.1367
Loa Loa (eye worm)	cathepsin B	0.1072	0.3879	0.3876
Onchocerca volvulus		0.1395	0.5052	1
Loa Loa (eye worm)	cysteine protease	0.1395	0.5052	0.5049
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0755	0.2725	0.2554
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0319	0.1139	0.1139
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0319	0.1139	0.1139
Onchocerca volvulus	Cathepsin F homolog	0.1395	0.5052	1
Entamoeba histolytica	cysteine protease, putative	0.0755	0.2725	0.4054
Onchocerca volvulus		0.1395	0.5052	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0755	0.2725	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1395	0.5052	1
Loa Loa (eye worm)	hypothetical protein	0.0436	0.1566	0.1561
Giardia lamblia	Cathepsin B precursor	0.1072	0.3879	1
Echinococcus multilocularis	voltage gated potassium channel	0.001	0.0017	0.0012
Trypanosoma cruzi	cysteine protease, putative	0.0755	0.2725	0.2554
Brugia malayi	cathepsin L-like precursor	0.0958	0.3465	0.3462
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1395	0.5052	1
Brugia malayi	Cathepsin L-like precursor	0.1395	0.5052	0.5049
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1395	0.5052	1
Onchocerca volvulus	Cathepsin L homolog	0.1395	0.5052	1
Leishmania major	cathepsin L-like protease	0.1395	0.5052	1
Brugia malayi	Papain family cysteine protease containing protein	0.0755	0.2725	0.2721
Brugia malayi	Cathepsin L-like precursor	0.1395	0.5052	0.5049
Toxoplasma gondii	cathepsin CPL	0.1395	0.5052	1
Entamoeba histolytica	cysteine proteinase, putative	0.0755	0.2725	0.4054
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1072	0.3879	0.3736
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0036	0.011	0.0104
Entamoeba histolytica	cysteine protease, putative	0.0755	0.2725	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0319	0.1139	0.2247
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0958	0.3465	0.6857
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1395	0.5052	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0436	0.1566	0.1561
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0036	0.011	0.0104
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.2755	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.001	0.0017	0.0017
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0033	0.0101	0.019
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1395	0.5052	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0755	0.2725	0.2725
Leishmania major	cathepsin L-like protease	0.1395	0.5052	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0319	0.1139	0.1139
Onchocerca volvulus		0.1395	0.5052	1
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.001	0.0017	0.0012
Toxoplasma gondii	cathepsin B	0.1072	0.3879	0.7004
Loa Loa (eye worm)	hypothetical protein	0.1395	0.5052	0.5049
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0319	0.1139	0.1139
Brugia malayi	Cathepsin L-like precursor	0.1395	0.5052	0.5049
Entamoeba histolytica	cysteine protease, putative	0.1395	0.5052	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1395	0.5052	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.0319	0.1139	0.2247
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0755	0.2725	0.4054
Trypanosoma cruzi	major cysteine proteinase, putative	0.0319	0.1139	0.0931
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0319	0.1139	0.1134
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0319	0.1139	0.2247
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.0319	0.1139	0.2247
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0007	0.0005	0.0005
Echinococcus multilocularis	cathepsin b	0.2755	1	1
Onchocerca volvulus	Cathepsin L homolog	0.1395	0.5052	1
Brugia malayi	fibroinase precursor	0.0319	0.1139	0.1134
Onchocerca volvulus		0.1395	0.5052	1
Plasmodium vivax	unspecified product	0.0436	0.1566	0.1091
Entamoeba histolytica	cysteine proteinase, putative	0.0755	0.2725	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0319	0.1139	0.2247
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1395	0.5052	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.1395	0.5052	0.5049
Leishmania major	cathepsin L-like protease	0.1395	0.5052	1
Entamoeba histolytica	cysteine protease, putative	0.0755	0.2725	0.4054
Echinococcus granulosus	cathepsin L cysteine proteinase	0.1395	0.5052	0.5049
Schistosoma mansoni	cathepsin s	0.0436	0.1566	0.1566
Trypanosoma cruzi	cysteine peptidase, putative	0.0755	0.2725	0.2554
Entamoeba histolytica	cysteine proteinase, putative	0.1395	0.5052	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0319	0.1139	0.1134
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0007	0.0005	0.0005
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.1395	0.5052	1
Loa Loa (eye worm)	hypothetical protein	0.0958	0.3465	0.3462
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0319	0.1139	0.2247
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1395	0.5052	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0319	0.1139	0.1139
Entamoeba histolytica	cysteine protease, putative	0.0755	0.2725	0.4054
Leishmania major	cysteine peptidase A (CPA)	0.1395	0.5052	1
Entamoeba histolytica	cysteine protease, putative	0.0755	0.2725	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0755	0.2725	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.0319	0.1139	0.2247
Echinococcus granulosus	cathepsin L	0.0755	0.2725	0.2721
Entamoeba histolytica	cysteine protease, putative	0.0755	0.2725	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.1395	0.5052	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1395	0.5052	1
Echinococcus multilocularis	cysteine protease	0.1395	0.5052	0.5049
Trypanosoma cruzi	cruzipain precursor, putative	0.1395	0.5052	0.4935
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1395	0.5052	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0755	0.2725	0.539
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0319	0.1139	0.1139
Schistosoma mansoni	cathepsin F (C01 family)	0.1395	0.5052	0.5052
Plasmodium vivax	vivapain-3	0.0755	0.2725	0.4054
Onchocerca volvulus		0.1395	0.5052	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1395	0.5052	1
Entamoeba histolytica	cysteine proteinase, putative	0.0958	0.3465	0.5946
Echinococcus granulosus	voltage gated potassium channel	0.001	0.0017	0.0012
Entamoeba histolytica	cysteine protease, putative	0.0755	0.2725	0.4054
Brugia malayi	Cathepsin L-like precursor	0.1395	0.5052	0.5049
Loa Loa (eye worm)	hypothetical protein	0.2755	1	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0319	0.1139	0.0931
Trypanosoma cruzi	cysteine peptidase, putative	0.1395	0.5052	0.4935
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0319	0.1139	0.1134
Leishmania major	cathepsin L-like protease	0.1395	0.5052	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0958	0.3465	0.6857
Echinococcus granulosus	cathepsin l cysteine peptidase	0.1395	0.5052	0.5049
Trypanosoma cruzi	cysteine peptidase, putative	0.1395	0.5052	0.4935
Brugia malayi	Cathepsin L-like precursor	0.1395	0.5052	0.5049
Echinococcus granulosus	cathepsin L cysteine protease	0.0755	0.2725	0.2721
Loa Loa (eye worm)	hypothetical protein	0.0319	0.1139	0.1134
Brugia malayi	Papain family cysteine protease containing protein	0.1395	0.5052	0.5049
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0319	0.1139	0.2247
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1395	0.5052	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0755	0.2725	0.539
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0319	0.1139	0.1134
Brugia malayi	cathepsin L-like cysteine proteinase	0.0319	0.1139	0.1134
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.1395	0.5052	1
Brugia malayi	cathepsin L precursor	0.0319	0.1139	0.1134
Loa Loa (eye worm)	hypothetical protein	0.0436	0.1566	0.1561
Brugia malayi	Papain family cysteine protease containing protein	0.0319	0.1139	0.1134

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 3.1 uM	Inhibition of human Weel1 in human NCI-H1299 cells assessed as phosphorylation of Cdk1 after overnight incubation by ELISA PD assay	ChEMBL.	25589931
EC50 (functional)	= 9.6 uM	Cytotoxicity against human NCI-H1299 cells assessed as cell viability after 72 hrs by CellTiterGlo assay	ChEMBL.	25589931
Ki (binding)	= 8.3 nM	Inhibition of GST-tagged human Wee1	ChEMBL.	25589931

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	25589931

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: CHEMBL3355523

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 942257