TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 402.237 | Formula: C17H13Cl2N7O
H donors: 2 H acceptors: 4 LogP: 2.04 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(c(c1)c1nn(cc1NC(=O)c1cnn2c1nc(N)cc2)C)Cl
InChi: 1S/C17H13Cl2N7O/c1-25-8-13(15(24-25)10-6-9(18)2-3-12(10)19)22-17(27)11-7-21-26-5-4-14(20)23-16(11)26/h2-8H,1H3,(H2,20,23)(H,22,27)
InChiKey: NNGCTIVKZKXWGS-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	neurotrophic tyrosine kinase, receptor, type 1	Starlite/ChEMBL	References
Homo sapiens	neurotrophic tyrosine kinase, receptor, type 3	Starlite/ChEMBL	References
Homo sapiens	Janus kinase 2	Starlite/ChEMBL	References
Homo sapiens	FYN proto-oncogene, Src family tyrosine kinase	Starlite/ChEMBL	References
Homo sapiens	neurotrophic tyrosine kinase, receptor, type 2	Starlite/ChEMBL	References
Homo sapiens	ROS proto-oncogene 1, receptor tyrosine kinase	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FYN, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fgr	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Src64B	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase Yrk, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	tyrosine protein kinase Srms	Get druggable targets OG5_127750	All targets in OG5_127750
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus granulosus	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Blk	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FYN, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Blk	Get druggable targets OG5_127750	All targets in OG5_127750
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus granulosus	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	TK protein kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus granulosus	tyrosine protein kinase	Get druggable targets OG5_135644	All targets in OG5_135644
Echinococcus granulosus	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	ko:K05703 proto-oncogene tyrosine-protein kinase Fyn, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	ko:K08892 fyn-related kinase, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus granulosus	tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_135644	All targets in OG5_135644
Loa Loa (eye worm)	SRC-1	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	TK protein kinase	Get druggable targets OG5_135644	All targets in OG5_135644
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus granulosus	tyrosine protein kinase Src64B	Get druggable targets OG5_127750	All targets in OG5_127750
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FGR, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase HCK	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase	Get druggable targets OG5_135644	All targets in OG5_135644
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	Get druggable targets OG5_127750	All targets in OG5_127750
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_135644	All targets in OG5_135644
Echinococcus granulosus	tyrosine protein kinase HCK	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus granulosus	tyrosine protein kinase Lyn	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	TK protein kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Brugia malayi	protein-tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	SRC-1	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Peroxidasin	neurotrophic tyrosine kinase, receptor, type 2	477 aa	385 aa	22.6 %
Brugia malayi	Peroxidasin	neurotrophic tyrosine kinase, receptor, type 3	612 aa	491 aa	21.4 %
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0011	0.0016	0.0016
Schistosoma mansoni	adapter molecule crk	0.0015	0.0156	0.0972
Loa Loa (eye worm)	CAMK protein kinase	0.0011	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0288	0.979	0.979
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.021	0.021
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0056	0.161	0.161
Echinococcus granulosus	tyrosine protein kinase	0.0294	1	1
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0056	0.161	0.161
Schistosoma mansoni	titin	0.0011	0.0016	0.0097
Schistosoma mansoni	tyrosine kinase	0.0056	0.161	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.016	0.016
Brugia malayi	Variant SH3 domain containing protein	0.0015	0.0156	0.0156
Echinococcus granulosus	NCK adaptor protein	0.0015	0.0156	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0142	0.0142
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.021	0.021
Schistosoma mansoni	cell adhesion molecule	0.0011	0.0016	0.0097
Brugia malayi	Protein kinase domain containing protein	0.0017	0.021	0.021
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0056	0.161	0.161
Entamoeba histolytica	protein kinase, putative	0.0041	0.1079	1
Echinococcus granulosus	slit 2 protein	0.0034	0.0839	0.0839
Brugia malayi	EGF-like domain containing protein	0.0034	0.0839	0.0839
Loa Loa (eye worm)	TK protein kinase	0.0294	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0056	0.161	0.161
Onchocerca volvulus		0.0017	0.021	0.2506
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0046	0.1243	0.1243
Echinococcus granulosus	tyrosine kinase	0.0052	0.1453	0.1453
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0011	0.0016	0.0016
Onchocerca volvulus		0.0017	0.021	0.2506
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0011	0.0016	0.0016
Schistosoma mansoni	nephrin	0.002	0.0346	0.215
Schistosoma mansoni	tyrosine kinase	0.0017	0.021	0.1306
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0021	0.0367	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0015	0.016	0.016
Brugia malayi	protein unc-22	0.0011	0.0016	0.0016
Echinococcus multilocularis	tyrosine kinase	0.0017	0.021	0.021
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0056	0.161	0.161
Schistosoma mansoni	myosin-binding protein-related	0.0011	0.0016	0.0097
Loa Loa (eye worm)	SRC-1	0.0056	0.161	0.161
Brugia malayi	SRC-1	0.0056	0.161	0.161
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0052	0.1453	0.1453
Brugia malayi	hypothetical protein	0.0015	0.016	0.016
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0011	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0016	0.0016
Schistosoma mansoni	cell adhesion molecule	0.0011	0.0016	0.0097
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.021	0.021
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0056	0.161	0.161
Schistosoma mansoni	titin	0.0011	0.0016	0.0097
Echinococcus granulosus	c src tyrosine kinase	0.0021	0.0367	0.0367
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0011	0.0016	0.0016
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0011	0.0016	0.0016
Schistosoma mansoni	neuroglian	0.0011	0.0016	0.0097
Trypanosoma brucei	cytochrome P450, putative	0.0015	0.015	0.5
Echinococcus granulosus	titin	0.0011	0.0016	0.0016
Brugia malayi	Fibronectin type III domain containing protein	0.0015	0.016	0.016
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0016	0.0016
Loa Loa (eye worm)	projectin	0.0011	0.0016	0.0016
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0012	0.004	0.004
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0011	0.0016	0.0016
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0056	0.161	0.161
Leishmania major	cytochrome p450-like protein	0.0015	0.015	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.016	0.016
Echinococcus multilocularis	roundabout 2	0.002	0.0346	0.0346
Echinococcus granulosus	tyrosine protein kinase shark	0.0017	0.021	0.021
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.021	0.021
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.021	0.021
Schistosoma mansoni	growth factor receptor-bound protein	0.0015	0.0156	0.0972
Onchocerca volvulus	Slit protein homolog	0.0034	0.0839	1
Echinococcus granulosus	titin	0.0011	0.0016	0.0016
Onchocerca volvulus	Tyrosine kinase homolog	0.0011	0.0022	0.0257
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0056	0.161	0.161
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0839	0.0839
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0017	0.021	0.1949
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0056	0.161	0.161
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0017	0.021	0.021
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0056	0.161	0.161
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0056	0.161	0.161
Echinococcus multilocularis	slit 2 protein	0.0034	0.0839	0.0839
Onchocerca volvulus		0.0011	0.0016	0.0186
Echinococcus granulosus	tyrosine protein kinase HCK	0.0041	0.1079	0.1079
Loa Loa (eye worm)	hypothetical protein	0.0017	0.021	0.021
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0011	0.0016	0.0016
Echinococcus multilocularis	tyrosine protein kinase	0.0294	1	1
Echinococcus granulosus	roundabout 2	0.002	0.0346	0.0346
Onchocerca volvulus		0.0017	0.021	0.2506
Brugia malayi	Sex muscle abnormal protein 5	0.0015	0.0156	0.0156
Brugia malayi	protein-tyrosine kinase	0.0052	0.1453	0.1453
Echinococcus granulosus	nephrin	0.0011	0.0016	0.0016
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0015	0.0156	0.0972
Brugia malayi	Protein kinase domain containing protein	0.0017	0.021	0.021
Schistosoma mansoni	cell adhesion molecule	0.0011	0.0016	0.0097
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0011	0.0016	0.0097
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0017	0.021	0.021
Onchocerca volvulus		0.0034	0.0826	0.9849
Schistosoma mansoni	nephrin	0.0011	0.0016	0.0097
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0015	0.016	0.016
Brugia malayi	Cytochrome P450 family protein	0.0015	0.015	0.015
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0011	0.0022	0.0022
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.021	0.021
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0017	0.021	0.021
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0046	0.1243	0.1243
Schistosoma mansoni	cell adhesion molecule	0.0015	0.016	0.0997
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0156	0.0156
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.021	0.021
Echinococcus granulosus	contactin	0.0011	0.0016	0.0016
Schistosoma mansoni	tyrosine kinase	0.0021	0.0367	0.2278
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0011	0.0016	0.0016
Loa Loa (eye worm)	TK protein kinase	0.0052	0.1453	0.1453
Echinococcus granulosus	tyrosine protein kinase transmembrane receptor	0.0011	0.0022	0.0022
Schistosoma mansoni	hypothetical protein	0.0011	0.0016	0.0097
Echinococcus multilocularis	NCK adaptor protein	0.0015	0.0156	0.0156
Echinococcus multilocularis	c src tyrosine kinase	0.0021	0.0367	0.0367
Echinococcus granulosus	growth factor receptor bound protein 2	0.0015	0.0156	0.0156
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0056	0.161	0.161
Echinococcus granulosus	twitchin	0.0015	0.0142	0.0142
Loa Loa (eye worm)	TK protein kinase	0.0041	0.1079	0.1079
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0016	0.0016
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0011	0.0016	0.0016
Schistosoma mansoni	tyrosine kinase	0.0017	0.021	0.1306
Brugia malayi	Protein kinase domain containing protein	0.0017	0.021	0.021
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0015	0.0156	0.0156
Echinococcus multilocularis	titin	0.0011	0.0016	0.0016
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0011	0.0016	0.0016
Schistosoma mansoni	ephrin receptor	0.0012	0.004	0.0249
Trypanosoma cruzi	cytochrome P450, putative	0.0015	0.015	0.5
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0017	0.021	0.021
Echinococcus multilocularis	tyrosine protein kinase transmembrane receptor	0.0011	0.0022	0.0022
Brugia malayi	Immunoglobulin I-set domain containing protein	0.004	0.1025	0.1025
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.021	0.021
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0011	0.0016	0.0016
Loa Loa (eye worm)	TK/ABL protein kinase	0.0017	0.021	0.021
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0011	0.0016	0.0016
Echinococcus multilocularis	roundabout 2	0.0011	0.0016	0.0016
Brugia malayi	SH2 domain containing protein	0.0017	0.021	0.021
Loa Loa (eye worm)	CYP4Cod1	0.0015	0.015	0.015
Schistosoma mansoni	tyrosine kinase	0.0021	0.0367	0.2278
Echinococcus granulosus	roundabout 2	0.0011	0.0016	0.0016
Echinococcus multilocularis	neuroglian	0.0011	0.0016	0.0016
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0015	0.0166	0.0166
Schistosoma mansoni	tyrosine kinase	0.0056	0.161	1
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0056	0.161	0.161
Loa Loa (eye worm)	TK protein kinase	0.0011	0.0022	0.0022
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.015	0.015
Brugia malayi	Tyrosine-protein kinase abl-1	0.0021	0.0367	0.0367
Echinococcus multilocularis	tyrosine protein kinase shark	0.0017	0.021	0.021
Schistosoma mansoni	tyrosine kinase	0.0011	0.0022	0.0134
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0021	0.0367	0.2278
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0012	0.004	0.004
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0015	0.015	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0011	0.0016	0.0016
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0052	0.1453	0.1453
Brugia malayi	hypothetical protein	0.0017	0.021	0.021
Onchocerca volvulus		0.0017	0.021	0.2506
Brugia malayi	Cytochrome P450 family protein	0.0015	0.015	0.015
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.004	0.1025	0.1025
Echinococcus granulosus	tyrosine protein kinase Srms	0.0017	0.021	0.021
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0011	0.0016	0.0016
Trypanosoma cruzi	cytochrome P450, putative	0.0015	0.015	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0056	0.161	0.161
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0011	0.0016	0.0016
Echinococcus multilocularis	roundabout 2	0.0011	0.0016	0.0016
Onchocerca volvulus		0.0011	0.0016	0.0186
Schistosoma mansoni	growth factor receptor-bound protein	0.0015	0.0156	0.0972
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0056	0.161	0.161
Brugia malayi	Variant SH3 domain containing protein	0.0015	0.0156	0.0156
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.015	0.015
Loa Loa (eye worm)	TK/ROR protein kinase	0.0011	0.0022	0.0022
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0011	0.0016	0.0016
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0015	0.0166	0.0166
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0011	0.0016	0.0016
Brugia malayi	SH2 domain containing protein	0.0017	0.021	0.021
Echinococcus multilocularis	transfer RNA-Phe	0.0011	0.0016	0.0016
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0052	0.1453	0.1453
Onchocerca volvulus		0.0017	0.021	0.2506
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0021	0.0367	0.0367
Schistosoma mansoni	nck2/grb4	0.0015	0.0156	0.0972
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0041	0.1079	0.1079
Schistosoma mansoni	cell adhesion molecule	0.0011	0.0016	0.0097
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0015	0.0156	0.0156
Onchocerca volvulus		0.0011	0.0016	0.0186
Echinococcus granulosus	neuroglian	0.0011	0.0016	0.0016
Schistosoma mansoni	serine/threonine protein kinase	0.0011	0.0016	0.0097
Echinococcus multilocularis	neuroglian	0.0015	0.0142	0.0142
Schistosoma mansoni	hemicentin	0.0011	0.0016	0.0097
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0021	0.0367	0.0367
Echinococcus granulosus	roundabout 2	0.0011	0.0016	0.0016
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0011	0.0016	0.0016
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0011	0.0016	0.0016
Onchocerca volvulus		0.0017	0.021	0.2506
Echinococcus granulosus	neuroglian	0.0015	0.0142	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0142	0.0142
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.021	0.021
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0056	0.161	0.161
Echinococcus granulosus	tyrosine protein kinase Blk	0.0052	0.1453	0.1453
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0052	0.1453	0.1453
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0015	0.0156	0.0156
Echinococcus granulosus	tyrosine kinase	0.0017	0.021	0.021
Brugia malayi	Protein kinase domain containing protein	0.0017	0.021	0.021
Loa Loa (eye worm)	TK/FER protein kinase	0.0017	0.021	0.021
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0056	0.161	0.161
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0011	0.0016	0.0016
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0011	0.0016	0.0016
Brugia malayi	Protein kinase domain containing protein	0.0017	0.021	0.021

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (ADMET)	= 38 %	Time dependent inhibition of CYP3A4 assessed as shift in AUC of enzyme activity	ChEMBL.	23061660
IC50 (binding)	= 7.4 nM	Inhibition of JAK2 in human TF1 cells assessed as reduction in STAT5 phosphorylation incubated for 30 mins in presence of human recombinant EPO	ChEMBL.	23061660
IC50 (binding)	= 1.3 uM	Inhibition of TRKC	ChEMBL.	23061660
IC50 (binding)	= 3.97 uM	Inhibition of TRKA	ChEMBL.	23061660
IC50 (binding)	= 4.97 uM	Inhibition of Fyn	ChEMBL.	23061660
IC50 (binding)	= 5.38 uM	Inhibition of TRKB	ChEMBL.	23061660
IC50 (ADMET)	= 5.8 uM	Time dependent inhibition of CYP3A4	ChEMBL.	23061660
IC50 (binding)	= 15.2 uM	Inhibition of ROS	ChEMBL.	23061660
Inhibition (ADMET)		Reversible inhibition of CYP1A2	ChEMBL.	23061660
Inhibition (ADMET)		Reversible inhibition of CYP2C19	ChEMBL.	23061660
Inhibition (ADMET)		Reversible inhibition of CYP2D6	ChEMBL.	23061660
Inhibition (ADMET)		Reversible inhibition of CYP2C9	ChEMBL.	23061660
Inhibition (binding)	> 50 %	Inhibition of TRKC at 0.01 uM	ChEMBL.	23061660
Inhibition (binding)	> 50 %	Inhibition of TRKB at 0.01 uM	ChEMBL.	23061660
Inhibition (binding)	> 50 %	Inhibition of TRKA at 0.01 uM	ChEMBL.	23061660
Inhibition (binding)	> 50 %	Inhibition of ROS at 0.01 uM	ChEMBL.	23061660
Inhibition (binding)	> 50 %	Inhibition of Fyn at 0.01 uM	ChEMBL.	23061660
Inhibition (functional)	= 64 %	Inhibition of JAK2 in human SET2 cells xenografted SCID mouse assessed as reduction in STAT5 phosphorylation at 100 mg/kg, po administered as single dose measured 1 hr post dose	ChEMBL.	23061660
Ki (binding)	= 0.1 nM	Inhibition of purified JAK2 incubated for 30 mins	ChEMBL.	23061660
PPB (ADMET)	= 98.5 %	Protein binding in human plasma	ChEMBL.	23061660

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.

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External resources for this compound

ChEMBL: CHEMBL2178804

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1716771