TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 521.999 | Formula: C26H28ClN7O3
H donors: 2 H acceptors: 4 LogP: 3.22 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: OCCN1CC2OC(C1)CN(C2)c1ccc(c(c1)OC)Nc1ncc(c(n1)c1cnc2n1cccc2)Cl
InChi: 1S/C26H28ClN7O3/c1-36-23-10-17(33-15-18-13-32(8-9-35)14-19(16-33)37-18)5-6-21(23)30-26-29-11-20(27)25(31-26)22-12-28-24-4-2-3-7-34(22)24/h2-7,10-12,18-19,35H,8-9,13-16H2,1H3,(H,29,30,31)
InChiKey: BNYVDZKAMFHMIE-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	insulin-like growth factor 1 receptor	Starlite/ChEMBL	References
Homo sapiens	potassium voltage-gated channel, subfamily H (eag-related), member 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Insulin-like peptide receptor precursor, putative	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	IPR000494,EGF receptor, L domain,domain-containing	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_129857	All targets in OG5_129857
Echinococcus multilocularis	insulin growth factor 1 receptor beta	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma japonicum	Insulin-like peptide receptor precursor, putative	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma japonicum	ko:K08252 receptor protein-tyrosine kinase [EC2.7.10.1], putative	Get druggable targets OG5_129857	All targets in OG5_129857
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	Potassium voltage-gated channel subfamily H member 2, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	TK/INSR protein kinase	Get druggable targets OG5_129857	All targets in OG5_129857
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_129857	All targets in OG5_129857
Echinococcus multilocularis	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus granulosus	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus granulosus	insulin growth factor 1 receptor beta	Get druggable targets OG5_129857	All targets in OG5_129857
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_129857	All targets in OG5_129857
Echinococcus multilocularis	insulin receptor	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma japonicum	ko:K04527 insulin receptor, putative	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma japonicum	IPR008957,Fibronectin, type III-like fold,domain-containing	Get druggable targets OG5_129857	All targets in OG5_129857
Echinococcus granulosus	insulin receptor	Get druggable targets OG5_129857	All targets in OG5_129857
Loa Loa (eye worm)	voltage and ligand gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129857	All targets in OG5_129857

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
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0091	0.2018	0.0675
Echinococcus multilocularis		0.0021	0.0286	0.0288
Echinococcus multilocularis	dual specificity	0.032	0.7686	0.7748
Plasmodium falciparum	MO15-related protein kinase	0.0074	0.1608	0.5991
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0094	0.0094
Echinococcus multilocularis	epidermal growth factor receptor	0.0072	0.1555	0.1567
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0804	0.0994
Echinococcus granulosus	epidermal growth factor receptor	0.0072	0.1555	0.1567
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.1608	0.2046
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.1608	0.2046
Onchocerca volvulus	Putative endochitinase	0.0083	0.1828	0.6758
Trichomonas vaginalis	CMGC family protein kinase	0.032	0.7686	1
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1938	0.1938
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Schistosoma mansoni	tyrosine kinase	0.0158	0.3688	0.3718
Toxoplasma gondii	cell-cycle-associated protein kinase DYRK2, putative	0.032	0.7686	1
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.1608	0.2046
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0091	0.2018	0.0675
Entamoeba histolytica	chitinase, putative	0.0074	0.1607	0.2044
Plasmodium vivax	serine/threonine protein kinase KIN, putative	0.0074	0.1608	0.5924
Mycobacterium ulcerans	chitinase/cellulase	0.0063	0.1337	1
Entamoeba histolytica	protein kinase, putative	0.0091	0.2018	0.2583
Loa Loa (eye worm)	hypothetical protein	0.0118	0.2683	0.2683
Loa Loa (eye worm)	CMGC/CDK/CRK7 protein kinase	0.0074	0.1608	0.1608
Schistosoma mansoni	tyrosine kinase	0.0071	0.1523	0.1535
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0013	0.0094	0.0095
Entamoeba histolytica	cell division protein kinase 2, putative	0.0074	0.1608	0.2046
Loa Loa (eye worm)	hypothetical protein	0.0086	0.1908	0.1908
Trypanosoma cruzi	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.032	0.7686	1
Plasmodium falciparum	chitinase	0.0011	0.0045	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1337	0.1337
Echinococcus granulosus	dual specificity	0.032	0.7686	0.7748
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Brugia malayi	Cell division protein kinase 2	0.0074	0.1608	0.1621
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Trichomonas vaginalis	CMGC family protein kinase	0.032	0.7686	1
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Schistosoma mansoni	hypothetical protein	0.0118	0.2683	0.2705
Onchocerca volvulus	Putative endochitinase	0.0083	0.1828	0.6758
Echinococcus multilocularis	serine:threonine protein kinase NLK	0.0074	0.1608	0.1621
Loa Loa (eye worm)	chitinase I	0.0074	0.1607	0.1607
Trichomonas vaginalis	protein kinase atmrk1, putative	0.0074	0.1608	0.2046
Echinococcus granulosus	cyclin dependent kinase 9	0.0074	0.1608	0.1621
Echinococcus multilocularis	cyclin dependent kinase 9	0.0074	0.1608	0.1621
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Echinococcus multilocularis	dual specificity	0.0091	0.2018	0.2034
Brugia malayi	Glycosyl hydrolases family 18 protein	0.0011	0.0045	0.0045
Echinococcus granulosus	Glycoside hydrolase chitinase domain containing protein 1	0.0011	0.0045	0.0045
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.1608	0.2046
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.0094	0.0095
Echinococcus granulosus	dual specificity	0.0091	0.2018	0.2034
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0804	0.0994
Echinococcus multilocularis	insulin receptor	0.0158	0.3688	0.3718
Brugia malayi	Protein kinase domain containing protein	0.0158	0.3688	0.3718
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Brugia malayi	Protein kinase domain containing protein	0.0091	0.2018	0.2034
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0045	0.0877	0.0884
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.0978	0.0986
Loa Loa (eye worm)	hypothetical protein	0.0118	0.2683	0.2683
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Echinococcus multilocularis	dual specificity	0.032	0.7686	0.7748
Brugia malayi	endochitinase	0.0074	0.1607	0.162
Echinococcus multilocularis	voltage gated potassium channel	0.0013	0.0094	0.0095
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.1608	0.2046
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Onchocerca volvulus	Putative endochitinase	0.0074	0.1607	0.592
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Entamoeba histolytica	protein kinase domain containing protein	0.0091	0.2018	0.2583
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.1608	0.2046
Schistosoma mansoni	tyrosine kinase	0.0072	0.1555	0.1567
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0158	0.3688	0.3718
Brugia malayi	Endochitinase	0.0011	0.0045	0.0045
Echinococcus multilocularis	epidermal growth factor receptor	0.0072	0.1555	0.1567
Leishmania major	mitogen-activated protein kinase, putative,map kinase-like protein	0.0074	0.1608	0.2092
Trichomonas vaginalis	CMGC family protein kinase	0.032	0.7686	1
Mycobacterium tuberculosis	Possible chitinase	0.0063	0.1337	0.5
Echinococcus multilocularis	hypothetical protein	0.0071	0.1528	0.154
Entamoeba histolytica	protein kinase domain containing protein	0.0074	0.1608	0.2046
Echinococcus multilocularis	dual specificity	0.032	0.7686	0.7748
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0045	0.0045
Brugia malayi	GSG2	0.041	0.992	1
Entamoeba histolytica	protein kinase, putative	0.032	0.7686	1
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0731	0.0731
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Echinococcus granulosus	serine:threonine protein kinase haspin	0.041	0.992	1
Brugia malayi	hypothetical protein	0.041	0.992	1
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Echinococcus granulosus	serine:threonine protein kinase NLK	0.0074	0.1608	0.1621
Echinococcus granulosus	serine:threonine protein kinase haspin	0.041	0.992	1
Schistosoma mansoni	tyrosine kinase	0.0072	0.1555	0.1567
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Trichomonas vaginalis	CMGC family protein kinase	0.032	0.7686	1
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.0978	0.0986
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Trichomonas vaginalis	CMGC family protein kinase	0.032	0.7686	1
Leishmania major	serine/threonine kinase-like protein, putative	0.0074	0.1608	0.2092
Toxoplasma gondii	hypothetical protein	0.0118	0.2683	0.3491
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0158	0.3688	0.3718
Echinococcus granulosus	mitogen activated protein kinase 15	0.0074	0.1608	0.1621
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Onchocerca volvulus		0.0118	0.2683	1
Brugia malayi	Hepatocellular carcinoma-associated antigen 59 family protein	0.0118	0.2683	0.2705
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Entamoeba histolytica	protein kinase domain containing protein	0.032	0.7686	1
Loa Loa (eye worm)	cuticular endochitinase	0.0074	0.1607	0.1607
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Schistosoma mansoni	serine/threonine protein kinase	0.032	0.7686	0.7748
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0045	0.0045
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Schistosoma mansoni	serine/threonine protein kinase	0.0091	0.2018	0.2034
Echinococcus granulosus	Cell division cycle 2 protein kinase	0.0074	0.1608	0.1621
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Trypanosoma brucei	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.032	0.7686	1
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.032	0.7686	0.7686
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Loa Loa (eye worm)	haspin protein kinase	0.041	0.992	0.992
Leishmania major	chitinase	0.0074	0.1607	0.2091
Echinococcus granulosus	insulin receptor	0.0158	0.3688	0.3718
Schistosoma mansoni	tyrosine kinase	0.0158	0.3688	0.3718
Brugia malayi	Protein kinase domain containing protein	0.0087	0.1939	0.1955
Schistosoma mansoni	chitinase	0.0011	0.0045	0.0045
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0074	0.1608	0.1608
Brugia malayi	hypothetical protein	0.0011	0.0045	0.0045
Onchocerca volvulus		0.0118	0.2683	1
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0072	0.1555	0.1567
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0091	0.2018	0.0675
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Trichomonas vaginalis	AGC family protein kinase	0.0074	0.1608	0.2046
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Loa Loa (eye worm)	microfilarial chitinase	0.0072	0.1558	0.1558
Plasmodium falciparum	conserved protein, unknown function	0.0118	0.2683	1
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Echinococcus granulosus	epidermal growth factor receptor	0.0072	0.1555	0.1567
Echinococcus granulosus	Pfam-B_8186 domain containing protein	0.0071	0.1528	0.154
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0013	0.0094	0.0095
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0045	0.0877	0.0884
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Brugia malayi	Glycosyl hydrolases family 18 protein	0.0011	0.0045	0.0045
Giardia lamblia	Kinase, CMGC DYRK	0.032	0.7686	1
Mycobacterium ulcerans	chitinase/cellulase	0.0063	0.1337	1
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Echinococcus granulosus	dual specificity	0.032	0.7686	0.7748
Brugia malayi	Furin-like cysteine rich region family protein	0.0072	0.1555	0.1567
Entamoeba histolytica	hypothetical protein	0.0071	0.1528	0.1941
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Schistosoma mansoni	tyrosine kinase	0.0071	0.1523	0.1535
Brugia malayi	Endochitinase	0.0083	0.1828	0.1842
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Schistosoma mansoni	serine/threonine protein kinase	0.0074	0.1608	0.1621
Brugia malayi	hypothetical protein	0.0011	0.0045	0.0045
Echinococcus multilocularis	Cell division cycle 2 protein kinase	0.0074	0.1608	0.1621
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Echinococcus granulosus	dual specificity	0.032	0.7686	0.7748
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	0.0074	0.1608	0.5924
Brugia malayi	Protein kinase domain containing protein	0.0074	0.1608	0.1621
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Echinococcus multilocularis	Hepatocellular carcinoma associated antigen 59	0.0118	0.2683	0.2705
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0045	0.0877	0.0884
Schistosoma mansoni	serine/threonine kinase	0.0074	0.1608	0.1621
Echinococcus multilocularis	Glycoside hydrolase, chitinase domain containing protein 1	0.0011	0.0045	0.0045
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.032	0.7686	0.7748
Trichomonas vaginalis	CMGC family protein kinase	0.0074	0.1608	0.2046
Loa Loa (eye worm)	hypothetical protein	0.0087	0.1938	0.1938
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.0094	0.0095
Brugia malayi	endochitinase	0.0083	0.1828	0.1842
Trichomonas vaginalis	CMGC family protein kinase	0.0074	0.1608	0.2046
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Plasmodium vivax	hypothetical protein, conserved	0.0118	0.2683	1
Schistosoma mansoni	tyrosine kinase	0.0072	0.1555	0.1567
Echinococcus granulosus	voltage gated potassium channel	0.0013	0.0094	0.0095
Onchocerca volvulus	Putative endochitinase	0.0083	0.1828	0.6758
Echinococcus granulosus	Hepatocellular carcinoma associated antigen 59	0.0118	0.2683	0.2705
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Onchocerca volvulus	Putative endochitinase	0.0074	0.1607	0.592
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0013	0.0094	0.0095
Trichomonas vaginalis	CMGC family protein kinase	0.032	0.7686	1
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.041	0.992	1
Loa Loa (eye worm)	glycosyl hydrolase family 18 protein	0.0011	0.0045	0.0045
Entamoeba histolytica	protein kinase, putative	0.0091	0.2018	0.2583
Leishmania major	protein kinase, putative,dual-specificity protein kinase, putative	0.032	0.7686	1
Loa Loa (eye worm)	TK/INSR protein kinase	0.0158	0.3688	0.3688
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0091	0.2018	0.2018
Trichomonas vaginalis	G protein-coupled receptor kinase, putative	0.0074	0.1608	0.2046
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Schistosoma mansoni	hypothetical protein	0.0071	0.1528	0.154
Loa Loa (eye worm)	haspin protein kinase	0.041	0.992	0.992
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Schistosoma mansoni	protein kinase	0.0074	0.1608	0.1621
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0091	0.2018	0.2626
Trichomonas vaginalis	CAMK family protein kinase	0.0074	0.1608	0.2046
Trichomonas vaginalis	CMGC family protein kinase	0.0074	0.1608	0.2046
Brugia malayi	cyclin-dependent kinase 7 homolog	0.0074	0.1608	0.1621
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.041	0.992	1
Echinococcus granulosus	serine:threonine protein kinase haspin	0.041	0.992	1
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0072	0.1555	0.1555
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0045	0.0877	0.0877
Trichomonas vaginalis	serine/threonine kinase, putative	0.0074	0.1608	0.2046
Schistosoma mansoni	tyrosine kinase	0.0071	0.1523	0.1535
Schistosoma mansoni	hypothetical protein	0.041	0.992	1
Entamoeba histolytica	hypothetical protein	0.0091	0.2018	0.2583
Trichomonas vaginalis	CMGC family protein kinase	0.0074	0.1608	0.2046

Activities

Activity type	Activity value	Assay description	Source	Reference
Fu (ADMET)	= 5 %	Fraction unbound in human plasma	ChEMBL.	21764307
IC50 (binding)	= 0.002 uM	Inhibition of auto-phosphorylation of IGFR1 by cell based assay	ChEMBL.	21764307
IC50 (binding)	= 0.004 uM	Inhibition of auto-phosphorylation of IGFR1	ChEMBL.	21764307
IC50 (binding)	= 1.5 uM	Inhibition of human ERG by electrophysiology assay	ChEMBL.	21764307
Kd (binding)	= 0.000000016825 M	IGF1R diphosphorilated was immobilized on a Biacore CM5 chip at 25 degrees C with 2uM K04355 and a flow rate of 30 uL/min using amine coupling at pH 4	K4DD.	No reference
kon (binding)	= 11080500 Ms-1	IGF1R diphosphorilated was immobilized on a Biacore CM5 chip at 25 degrees C with 2uM K04355 and a flow rate of 30 uL/min using amine coupling at pH 4	K4DD.	No reference
k_off (binding)	= 0.1925 s-1	IGF1R diphosphorilated was immobilized on a Biacore CM5 chip at 25 degrees C with 2uM K04355 and a flow rate of 30 uL/min using amine coupling at pH 4	K4DD.	No reference

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: CHEMBL1809059

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1021228