TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 432.876 | Formula: C21H22ClFN4O3
H donors: 1 H acceptors: 2 LogP: 3.82 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COC1CN(C1)CCOc1cc2c(ncnc2cc1OC)Nc1ccc(c(c1)Cl)F
InChi: 1S/C21H22ClFN4O3/c1-28-14-10-27(11-14)5-6-30-20-8-15-18(9-19(20)29-2)24-12-25-21(15)26-13-3-4-17(23)16(22)7-13/h3-4,7-9,12,14H,5-6,10-11H2,1-2H3,(H,24,25,26)
InChiKey: LOYIMXGRFMZOFX-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	epidermal growth factor receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Receptor tyrosine-protein kinase erbB-2 precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus multilocularis	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	ko:K05085 receptor tyrosine-protein kinase erbB-4, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Loa Loa (eye worm)	TK/EGFR protein kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus granulosus	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Tyrosine-protein kinase transforming protein erbB, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus multilocularis	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	IPR006212,Furin-like repeat;IPR009030,Growth factor, receptor,domain-containing	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Brugia malayi	Furin-like cysteine rich region family protein	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Receptor tyrosine-protein kinase erbB-4 precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus multilocularis		Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus granulosus	epidermal growth factor receptor	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	IPR000494,EGF receptor, L domain,domain-containing	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_128597	All targets in OG5_128597

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
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0862	0.2089
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0862	0.2089
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0114	0.1638	0.4088
Trichomonas vaginalis	cyclin B, putative	0.007	0.0656	0.4005
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0862	0.2089
Echinococcus multilocularis	epidermal growth factor receptor	0.0097	0.1258	0.3139
Echinococcus multilocularis	nAChR subunit	0.0043	0.0032	0.008
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0079	0.0862	0.2152
Loa Loa (eye worm)	cytochrome P450	0.0051	0.0215	0.046
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0862	0.2089
Echinococcus multilocularis	serotonin receptor	0.0133	0.208	0.5192
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0133	0.208	0.6608
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0218	0.4007	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0079	0.0862	0.0833
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0078	0.0825	1
Trypanosoma cruzi	cyclin 6, putative	0.007	0.0656	0.31
Brugia malayi	Cytochrome P450 family protein	0.0149	0.2442	0.2418
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0171	0.2939	0.7335
Brugia malayi	Cation transporter family protein	0.0079	0.0862	0.0833
Schistosoma mansoni	tyrosine kinase	0.0096	0.1234	0.3921
Brugia malayi	Cytochrome P450 family protein	0.0078	0.0825	0.0796
Schistosoma mansoni	neurotransmitter gated ion channel	0.0043	0.0032	0.0102
Loa Loa (eye worm)	TK/EGFR protein kinase	0.018	0.3148	0.784
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0079	0.0862	0.2089
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0079	0.0862	0.2739
Schistosoma mansoni	nAChR subunit	0.0079	0.0862	0.2739
Loa Loa (eye worm)	cytochrome P450 family protein	0.0149	0.2442	0.6063
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0114	0.1638	0.4088
Brugia malayi	Cyclin, N-terminal domain containing protein	0.007	0.0656	0.0626
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0114	0.1638	1
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0079	0.0862	0.0833
Echinococcus granulosus	glycine receptor subunit beta	0.0079	0.0862	0.2152
Schistosoma mansoni	nAChR subunit	0.0079	0.0862	0.2739
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0079	0.0862	0.2152
Echinococcus multilocularis	epidermal growth factor receptor	0.018	0.3148	0.7857
Echinococcus multilocularis	nAChR subunit	0.0079	0.0862	0.2152
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0079	0.0862	0.0833
Onchocerca volvulus		0.0079	0.0862	0.2089
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0079	0.0862	0.0833
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0043	0.0032	0.0102
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0079	0.0862	0.2152
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0079	0.0862	0.2739
Entamoeba histolytica	cyclin, putative	0.007	0.0656	0.4005
Echinococcus granulosus	cyclin B	0.007	0.0656	0.1637
Trichomonas vaginalis	cyclins, putative	0.007	0.0656	0.4005
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0065	0.0544	0.5401
Brugia malayi	Furin-like cysteine rich region family protein	0.018	0.3148	0.3126
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0862	0.2089
Plasmodium falciparum	cyclin	0.0041	0	0.5
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0079	0.0862	0.2152
Brugia malayi	Cation transporter family protein	0.0149	0.2435	0.241
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0065	0.0544	0.5401
Echinococcus multilocularis		0.0056	0.0327	0.0816
Trichomonas vaginalis	cyclins, putative	0.007	0.0656	0.4005
Trypanosoma brucei	mitotic cyclin 6	0.007	0.0656	0.31
Trichomonas vaginalis	cyclin B, putative	0.007	0.0656	0.4005
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0114	0.1638	0.4088
Schistosoma mansoni	nAChR subunit	0.0079	0.0862	0.2739
Echinococcus multilocularis	cyclin B	0.007	0.0656	0.1637
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0114	0.1638	0.5203
Schistosoma mansoni	hypothetical protein	0.0051	0.0215	0.0682
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0218	0.4007	0.3988
Echinococcus multilocularis	glycine receptor subunit beta	0.0079	0.0862	0.2152
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0862	0.2089
Onchocerca volvulus		0.0149	0.2435	0.6044
Loa Loa (eye worm)	cytochrome P450 family protein	0.0078	0.0825	0.1995
Schistosoma mansoni	tyrosine kinase	0.0058	0.0368	0.1169
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0862	0.2089
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0079	0.0862	0.2152
Onchocerca volvulus		0.0079	0.0862	0.2089
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0114	0.1638	0.1611
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0114	0.1638	1
Schistosoma mansoni	cytochrome P450	0.0051	0.0215	0.0682
Trichomonas vaginalis	cyclin B, putative	0.007	0.0656	0.4005
Brugia malayi	Cytochrome P450 family protein	0.0051	0.0215	0.0183
Brugia malayi	excitatory GABA receptor EXP-1A	0.0079	0.0862	0.0833
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0862	0.2089
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0079	0.0862	0.0833
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0079	0.0862	0.0833
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0079	0.0862	0.2152
Entamoeba histolytica	hypothetical protein	0.0043	0.0032	0.0195
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0171	0.2939	0.7335
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0114	0.1638	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0065	0.0544	0.5401
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0079	0.0862	0.2152
Onchocerca volvulus		0.007	0.0656	0.157
Echinococcus granulosus	epidermal growth factor receptor	0.0097	0.1258	0.3139
Onchocerca volvulus	Putative nachr subunit	0.0218	0.4007	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0065	0.0544	0.1359
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0058	0.0368	0.0918
Trichomonas vaginalis	cyclin B, putative	0.007	0.0656	0.4005
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0079	0.0862	0.2089
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0218	0.4007	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0862	0.2089
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0218	0.4007	1
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0079	0.0862	0.2152
Leishmania major	cyclin	0.007	0.0656	0.31
Echinococcus granulosus	nAChR subunit	0.0079	0.0862	0.2152
Schistosoma mansoni	tyrosine kinase	0.0097	0.1258	0.3995
Loa Loa (eye worm)	cytochrome P450 family protein	0.0078	0.0825	0.1995
Giardia lamblia	G2/mitotic-specific cyclin B	0.007	0.0656	0.4005
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0218	0.4007	1
Brugia malayi	Cation transporter family protein	0.0079	0.0862	0.0833
Schistosoma mansoni	tyrosine kinase	0.0096	0.1234	0.3921
Trypanosoma brucei	cytochrome P450, putative	0.0078	0.0825	0.4288
Loa Loa (eye worm)	hypothetical protein	0.0149	0.2435	0.6044
Echinococcus granulosus	biogenic amine 5HT receptor	0.0133	0.208	0.5192
Trichomonas vaginalis	cyclins, putative	0.007	0.0656	0.4005
Echinococcus granulosus	cytochrome P450 2K1	0.0051	0.0215	0.0536
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0097	0.1258	0.3139
Schistosoma mansoni	nAChR subunit	0.0079	0.0862	0.2739
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0114	0.1638	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0065	0.0544	0.2316
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0079	0.0862	0.2152
Schistosoma mansoni	nAChR subunit	0.0079	0.0862	0.2739
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0114	0.1638	0.4088
Loa Loa (eye worm)	hypothetical protein	0.0133	0.208	0.5153
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0079	0.0862	0.2089
Echinococcus granulosus	epidermal growth factor receptor	0.018	0.3148	0.7857
Echinococcus multilocularis	serotonin receptor	0.0133	0.208	0.5192
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0079	0.0862	0.2152
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0079	0.0862	0.0833
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0079	0.0862	0.2152
Trypanosoma cruzi	cyclin, putative	0.007	0.0656	0.31
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0079	0.0862	0.2089
Schistosoma mansoni	tyrosine kinase	0.0058	0.0368	0.1169
Trichomonas vaginalis	cyclins, putative	0.007	0.0656	0.4005
Brugia malayi	Cyclin, N-terminal domain containing protein	0.007	0.0656	0.0626
Loa Loa (eye worm)	TK/INSR protein kinase	0.0058	0.0368	0.0845
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0079	0.0862	0.0833
Trichomonas vaginalis	conserved hypothetical protein	0.0114	0.1638	1
Echinococcus granulosus	insulin receptor	0.0058	0.0368	0.0918
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0171	0.2939	0.2916
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0114	0.1638	1
Echinococcus multilocularis	ubiquitin specific protease 41	0.0114	0.1638	0.4088
Brugia malayi	Protein kinase domain containing protein	0.0058	0.0368	0.0337
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0114	0.1638	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0862	0.2089
Mycobacterium leprae	Conserved hypothetical protein	0.0051	0.0215	0.5
Schistosoma mansoni	tyrosine kinase	0.0096	0.1234	0.3921
Echinococcus multilocularis		0.0051	0.0215	0.0536
Echinococcus granulosus	nAChR subunit	0.0043	0.0032	0.008
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0079	0.0862	0.0833
Onchocerca volvulus		0.0079	0.0862	0.2089
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0862	0.2089
Trypanosoma cruzi	cyclin, putative	0.007	0.0656	0.31
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1638	0.404
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0079	0.0862	0.2089
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0079	0.0862	0.2152
Loa Loa (eye worm)	ACC-1 protein	0.0079	0.0862	0.2089
Loa Loa (eye worm)	hypothetical protein	0.0133	0.208	0.5153
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0862	0.2089
Echinococcus granulosus	glycine receptor subunit beta	0.0079	0.0862	0.2152
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0079	0.0862	0.0833
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0079	0.0862	0.0833
Mycobacterium leprae	putative cytochrome p450	0.0051	0.0215	0.5
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0065	0.0544	0.1359
Onchocerca volvulus		0.0149	0.2435	0.6044
Schistosoma mansoni	nAChR subunit	0.0079	0.0862	0.2739
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0079	0.0862	0.2152
Loa Loa (eye worm)	hypothetical protein	0.0149	0.2435	0.6044
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.007	0.0656	0.31
Onchocerca volvulus		0.0149	0.2435	0.6044
Loa Loa (eye worm)	hypothetical protein	0.007	0.0656	0.157
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0114	0.1638	1
Brugia malayi	cytochrome P450	0.0051	0.0215	0.0183
Schistosoma mansoni	cyclin B	0.007	0.0656	0.2083
Echinococcus multilocularis	glycine receptor subunit beta	0.0079	0.0862	0.2152
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0079	0.0862	0.0833
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1604	0.3956
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0862	0.2089
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0862	0.2089
Leishmania major	cytochrome p450-like protein	0.0078	0.0825	0.4288
Trypanosoma cruzi	cytochrome P450, putative	0.0078	0.0825	0.4288
Echinococcus multilocularis	insulin receptor	0.0058	0.0368	0.0918
Trypanosoma cruzi	CYC2-like cyclin, putative	0.007	0.0656	0.31
Schistosoma mansoni	cyclin B3	0.0171	0.2939	0.9335
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0079	0.0862	0.0833
Loa Loa (eye worm)	ACC-1 protein	0.0079	0.0862	0.2089
Echinococcus granulosus	ubiquitin specific protease 41	0.0114	0.1638	0.4088
Schistosoma mansoni	aldehyde dehydrogenase	0.0065	0.0544	0.1729
Schistosoma mansoni	tyrosine kinase	0.0097	0.1258	0.3995
Schistosoma mansoni	aldehyde dehydrogenase	0.0065	0.0544	0.1729
Schistosoma mansoni	nAChR subunit	0.0079	0.0862	0.2739
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0149	0.2435	0.7733
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0862	0.2089
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0114	0.1638	1
Trypanosoma cruzi	cytochrome P450, putative	0.0078	0.0825	0.4288
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0114	0.1638	0.5203
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0079	0.0862	0.2739
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0079	0.0862	0.0833
Toxoplasma gondii	aldehyde dehydrogenase	0.0065	0.0544	1
Loa Loa (eye worm)	cyclin domain-containing protein	0.0171	0.2939	0.7314
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0079	0.0862	0.2152
Loa Loa (eye worm)	hypothetical protein	0.007	0.0656	0.157
Brugia malayi	Cytochrome P450 family protein	0.0078	0.0825	0.0796
Loa Loa (eye worm)	hypothetical protein	0.0218	0.4007	1
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0079	0.0862	0.0833
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0079	0.0862	0.2152
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0218	0.4007	1
Loa Loa (eye worm)	LGC-31 protein	0.0079	0.0862	0.2089
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0058	0.0368	0.0918
Loa Loa (eye worm)	CYP4Cod1	0.0078	0.0825	0.1995
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0862	0.2089
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0218	0.4007	1
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0149	0.2435	0.7733
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0218	0.4007	1
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0043	0.0032	0.0102
Schistosoma mansoni	tyrosine kinase	0.018	0.3148	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0079	0.0862	0.2739
Trichomonas vaginalis	cyclin A, putative	0.007	0.0656	0.4005
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0065	0.0544	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.094 uM	Inhibition of wild type EGFR (unknown origin) after 24 hrs by fluorescence assay	ChEMBL.	23973168
IC50 (functional)	> 50 uM	Cytotoxicity against human A549 cells after 72 hrs by CCK-8 assay	ChEMBL.	23973168

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: CHEMBL2425091

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1788205