TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 435.342 | Formula: C21H17Cl2FN2OS
H donors: 2 H acceptors: 1 LogP: 5.7 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cc(CN(C(=S)Nc2ccccc2)Cc2ccc(cc2)F)c(c(c1)Cl)O
InChi: 1S/C21H17Cl2FN2OS/c22-16-10-15(20(27)19(23)11-16)13-26(12-14-6-8-17(24)9-7-14)21(28)25-18-4-2-1-3-5-18/h1-11,27H,12-13H2,(H,25,28)
InChiKey: QSDHRATYXWRXIW-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	erb-b2 receptor tyrosine kinase 2	Starlite/ChEMBL	References
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 japonicum	Receptor tyrosine-protein kinase erbB-2 precursor, putative	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
Echinococcus granulosus	epidermal growth factor receptor	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	Epidermal growth factor receptor precursor, putative	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
Schistosoma japonicum	Tyrosine-protein kinase transforming protein erbB, 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
Loa Loa (eye worm)	TK/EGFR protein kinase	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 granulosus	epidermal growth factor receptor	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	IPR000494,EGF receptor, L domain,domain-containing	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
Schistosoma japonicum	Receptor tyrosine-protein kinase erbB-4 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 mansoni	tyrosine kinase	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 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
Schistosoma japonicum	hypothetical 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	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
Schistosoma japonicum	Epidermal growth factor receptor precursor, putative	Get druggable targets OG5_128597	All targets in OG5_128597
Echinococcus multilocularis		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
Schistosoma mansoni	thyroid hormone receptor	0.003	0.0291	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0019	0.002
Loa Loa (eye worm)	hypothetical protein	0.003	0.028	0.0295
Brugia malayi	ecdysteroid receptor	0.0327	0.5917	0.6216
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0516	0.9519	1
Echinococcus granulosus	epidermal growth factor receptor	0.036	0.6554	0.6554
Schistosoma mansoni	hypothetical protein	0.0163	0.2817	0.2817
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.003	0.0291	0.0306
Mycobacterium leprae	Probable lipase LipE	0.0039	0.0463	0.6759
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0463	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0463	0.0463
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.003	0.0291	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0121	0.2013	0.2114
Loa Loa (eye worm)	hypothetical protein	0.0327	0.5917	0.6216
Brugia malayi	beta-lactamase family protein	0.0039	0.0463	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0192	0.0202
Leishmania major	hypothetical protein, conserved	0.0025	0.0192	0.2807
Schistosoma mansoni	hypothetical protein	0.0163	0.2817	0.2817
Schistosoma mansoni	Rho2 GTPase	0.0121	0.2013	0.2013
Mycobacterium tuberculosis	Probable esterase LipL	0.0039	0.0463	0.1031
Brugia malayi	Nuclear hormone receptor-like 1	0.003	0.0291	0.0306
Giardia lamblia	TCP-1 chaperonin subunit beta	0.0024	0.0174	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0051	0.0686	0.072
Loa Loa (eye worm)	MH2 domain-containing protein	0.0122	0.2029	0.2132
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0051	0.0686	0.1525
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.003	0.0291	0.0306
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.003	0.0291	0.0291
Trichomonas vaginalis	set domain proteins, putative	0.0236	0.4202	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.003	0.0291	0.0306
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0163	0.2817	0.2959
Brugia malayi	TAR-binding protein	0.0062	0.0892	0.0937
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.003	0.0291	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0019	0.002
Mycobacterium tuberculosis	Probable lipase LipE	0.0039	0.0463	0.1031
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.003	0.0291	0.0291
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.028	0.028
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0463	0.0463
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.003	0.0291	0.0306
Brugia malayi	Pre-SET motif family protein	0.0208	0.3657	0.3842
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.0401	0.0891
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.0401	0.0891
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0039	0.0463	0.1031
Brugia malayi	hypothetical protein	0.0037	0.0412	0.0433
Schistosoma mansoni	tyrosine kinase	0.0191	0.3351	0.3351
Brugia malayi	nuclear hormone receptor	0.003	0.0291	0.0306
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0016	0.0019	0.002
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.003	0.0291	0.0306
Brugia malayi	Nuclear hormone receptor-like 1	0.0016	0.0019	0.002
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0051	0.0686	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0686	0.072
Echinococcus granulosus	GPCR family 2	0.0163	0.2817	0.2817
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.003	0.0291	0.0291
Echinococcus multilocularis	epidermal growth factor receptor	0.0194	0.339	0.339
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.003	0.0291	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0019	0.002
Mycobacterium ulcerans	lipase LipD	0.0039	0.0463	0.6759
Brugia malayi	T-complex protein 1, beta subunit	0.0024	0.0174	0.0182
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0051	0.0686	0.3407
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.003	0.0291	0.0306
Brugia malayi	nuclear receptor RXR	0.0016	0.0019	0.002
Entamoeba histolytica	Rho family GTPase	0.0121	0.2013	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0892	0.0892
Echinococcus granulosus	chaperonin containing TCP1 subunit 2 beta	0.0024	0.0174	0.0174
Brugia malayi	AMP-binding enzyme family protein	0.0051	0.0686	0.072
Toxoplasma gondii	ABC1 family protein	0.0039	0.0463	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.003	0.0291	0.0306
Brugia malayi	steroid hormone receptor	0.003	0.0291	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0019	0.002
Echinococcus multilocularis	transforming protein RhoA	0.0121	0.2013	0.2013
Echinococcus multilocularis	FTZ F1 alpha	0.003	0.0291	0.0291
Trichomonas vaginalis	esterase, putative	0.0039	0.0463	0.1103
Schistosoma mansoni	RAR-like nuclear receptor	0.003	0.0291	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0463	0.0487
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0236	0.4197	0.4197
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.028	0.028
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0016	0.0019	0.0019
Onchocerca volvulus		0.003	0.0291	0.0492
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0463	0.0463
Schistosoma mansoni	nuclear hormone receptor	0.003	0.0291	0.0291
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.003	0.0291	0.0306
Echinococcus granulosus	ecdysone induced protein 78C	0.003	0.0291	0.0291
Brugia malayi	latrophilin 2 splice variant baaae	0.0353	0.6417	0.6741
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.003	0.0291	0.0291
Leishmania major	hypothetical protein, conserved	0.0039	0.0463	0.6759
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0051	0.0686	1
Onchocerca volvulus		0.0236	0.4202	0.7101
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0686	0.072
Loa Loa (eye worm)	T-complex protein 1	0.0024	0.0174	0.0182
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0024	0.0174	0.0174
Entamoeba histolytica	T-complex protein 1 beta subunit, putative	0.0024	0.0174	0.0862
Brugia malayi	RAS-like GTP-binding protein RhoA	0.0121	0.2013	0.2114
Schistosoma mansoni	tyrosine kinase	0.0191	0.3351	0.3351
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.003	0.0291	0.0291
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0892	0.0892
Loa Loa (eye worm)	guanine nucleotide regulatory protein	0.0121	0.2013	0.2114
Schistosoma mansoni	hypothetical protein	0.0542	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.003	0.0291	0.0291
Entamoeba histolytica	hypothetical protein	0.0037	0.0412	0.2049
Echinococcus multilocularis	thyroid hormone receptor alpha	0.003	0.0291	0.0291
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0.0463	0.6759
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0163	0.2817	0.2817
Onchocerca volvulus		0.0121	0.2013	0.3401
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0115	0.19	0.19
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0016	0.0019	0.0019
Onchocerca volvulus	Bile acid receptor homolog	0.0327	0.5917	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.003	0.0291	0.0291
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.003	0.0291	0.0291
Leishmania major	4-coumarate:coa ligase-like protein	0.0051	0.0686	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0463	0.0487
Loa Loa (eye worm)	hypothetical protein	0.003	0.0291	0.0306
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0051	0.0686	0.3407
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0463	0.1103
Brugia malayi	RNA binding protein	0.0062	0.0892	0.0937
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0192	0.4372
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.003	0.0291	0.0306
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0051	0.0686	1
Echinococcus granulosus	insulin receptor	0.0115	0.19	0.19
Plasmodium vivax	T-complex protein 1 subunit beta, putative	0.0024	0.0174	0.3745
Mycobacterium ulcerans	beta-lactamase	0.0039	0.0463	0.6759
Loa Loa (eye worm)	transcription factor SMAD2	0.0122	0.2029	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0038	0.044	0.0462
Echinococcus multilocularis	GPCR, family 2	0.0163	0.2817	0.2817
Brugia malayi	photoreceptor-specific nuclear receptor	0.003	0.0291	0.0306
Schistosoma mansoni	thyroid hormone receptor	0.003	0.0291	0.0291
Echinococcus granulosus	transforming protein RhoA	0.0121	0.2013	0.2013
Schistosoma mansoni	hypothetical protein	0.0163	0.2817	0.2817
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.003	0.0291	0.0291
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0051	0.0686	0.1525
Schistosoma mansoni	tyrosine kinase	0.0115	0.19	0.19
Brugia malayi	Furin-like cysteine rich region family protein	0.036	0.6554	0.6885
Brugia malayi	Latrophilin receptor protein 2	0.0163	0.2817	0.2959
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.026	0.026
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.028	0.028
Brugia malayi	hypothetical protein	0.0016	0.0019	0.002
Onchocerca volvulus	Protein ultraspiracle homolog	0.003	0.0291	0.0492
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0463	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0039	0.0463	0.1031
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0892	0.0937
Echinococcus multilocularis	epidermal growth factor receptor	0.036	0.6554	0.6554
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0463	0.0487
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0192	0.4153
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.0401	0.0891
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0024	0.0174	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0019	0.002
Entamoeba histolytica	hypothetical protein	0.0037	0.0412	0.2049
Brugia malayi	hypothetical protein	0.0025	0.0192	0.0202
Schistosoma mansoni	tyrosine kinase	0.0115	0.19	0.19
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.003	0.0291	0.0306
Mycobacterium ulcerans	acyl-CoA synthetase	0.0051	0.0686	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.028	0.028
Schistosoma mansoni	tyrosine kinase	0.0194	0.339	0.339
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0463	0.0487
Schistosoma mansoni	tyrosine kinase	0.0194	0.339	0.339
Brugia malayi	beta-lactamase	0.0039	0.0463	0.0487
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0463	0.1103
Echinococcus multilocularis	chaperonin containing TCP1, subunit 2 (beta)	0.0024	0.0174	0.0174
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0236	0.4197	0.4197
Brugia malayi	Steroid receptor seven-up type 2	0.003	0.0291	0.0306
Brugia malayi	Protein kinase domain containing protein	0.0115	0.19	0.1996
Schistosoma mansoni	gtpase_rho	0.0121	0.2013	0.2013
Echinococcus multilocularis		0.0111	0.1832	0.1832
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0463	0.1103
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0192	0.4372
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0038	0.044	0.0979
Brugia malayi	T-complex protein 1, beta subunit	0.0024	0.0174	0.0182
Mycobacterium tuberculosis	Probable hydrolase	0.0039	0.0463	0.1031
Loa Loa (eye worm)	hypothetical protein	0.0038	0.044	0.0462
Schistosoma mansoni	hypothetical protein	0.0037	0.0412	0.0412
Mycobacterium ulcerans	hypothetical protein	0.0039	0.0463	0.6759
Echinococcus multilocularis	geminin	0.0542	1	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.044	0.0462
Echinococcus granulosus	transforming protein RhoA	0.0121	0.2013	0.2013
Loa Loa (eye worm)	hypothetical protein	0.0038	0.044	0.0462
Plasmodium falciparum	acyl-CoA synthetase	0.0038	0.044	1
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0892	0.0937
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0236	0.4197	0.4409
Loa Loa (eye worm)	TK/EGFR protein kinase	0.036	0.6554	0.6885
Mycobacterium leprae	conserved hypothetical protein	0.0039	0.0463	0.6759
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.003	0.0291	0.0291
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0115	0.19	0.19
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0236	0.4197	0.4197
Brugia malayi	nuclear receptor NHR-88	0.003	0.0291	0.0306
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0463	0.1031
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0163	0.2817	0.2959
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.028	0.028
Loa Loa (eye worm)	guanine nucleotide regulatory protein	0.0121	0.2013	0.2114
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0516	0.9519	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.003	0.0291	0.0306
Loa Loa (eye worm)	hypothetical protein	0.003	0.0291	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0463	0.0487
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.0401	0.0891
Brugia malayi	Nuclear hormone receptor-like 1	0.0016	0.0019	0.002
Brugia malayi	hypothetical protein	0.0016	0.0019	0.002
Schistosoma mansoni	hypothetical protein	0.0353	0.6417	0.6417
Toxoplasma gondii	t-complex protein beta subunit	0.0024	0.0174	0.3745
Entamoeba histolytica	acyl-coA synthetase, putative	0.0051	0.0686	0.3407
Leishmania major	4-coumarate:coa ligase-like protein	0.0051	0.0686	1
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0892	0.0937
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.0463	1
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0463	0.1031
Plasmodium vivax	SET domain protein, putative	0.003	0.028	0.6052
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0236	0.4197	0.4409
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.003	0.0291	0.0291
Trichomonas vaginalis	chaperonin, putative	0.0024	0.0174	0.0413
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0208	0.3657	0.3842
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0463	0.1103
Brugia malayi	AMP-binding enzyme family protein	0.0051	0.0686	0.072
Leishmania major	4-coumarate:coa ligase-like protein	0.0051	0.0686	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0192	0.4153
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.003	0.0291	0.0291
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.003	0.0291	0.0492
Trypanosoma cruzi	T-complex protein 1, beta subunit, putative	0.0024	0.0174	0.3745
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.003	0.0291	0.0306
Brugia malayi	beta-lactamase family protein	0.0039	0.0463	0.0487
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0024	0.0174	0.0174
Onchocerca volvulus		0.0039	0.0463	0.0783
Brugia malayi	hypothetical protein	0.0016	0.0023	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0686	0.072
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0412	0.0412
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.003	0.0291	0.0291
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0252	0.4496	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.003	0.0291	0.0306
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0051	0.0686	1
Schistosoma mansoni	hypothetical protein	0.0542	1	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0291	0.0306
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.003	0.0291	0.0291
Loa Loa (eye worm)	hypothetical protein	0.003	0.0291	0.0306
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0236	0.4197	0.4197
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0412	0.0412
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0412	0.0412
Echinococcus granulosus	FTZ F1 alpha	0.003	0.0291	0.0291
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.003	0.0291	0.0291
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0016	0.0019	0.0019
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0194	0.339	0.339
Loa Loa (eye worm)	hypothetical protein	0.0038	0.044	0.0462
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0051	0.0686	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0038	0.044	0.5
Trypanosoma brucei	T-complex protein 1, beta subunit, putative	0.0024	0.0174	0.3745
Loa Loa (eye worm)	steroid hormone receptor	0.003	0.0291	0.0306
Mycobacterium ulcerans	acyl-CoA synthetase	0.0051	0.0686	1
Trichomonas vaginalis	rho3, putative	0.0121	0.2013	0.479
Leishmania major	T-complex protein 1, beta subunit, putative	0.0024	0.0174	0.2531
Loa Loa (eye worm)	hypothetical protein	0.0121	0.2013	0.2114
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0463	0.0487
Loa Loa (eye worm)	hypothetical protein	0.003	0.0291	0.0306
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0236	0.4197	0.4197
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0039	0.0463	0.1031
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.028	0.028
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.003	0.0291	0.0291
Onchocerca volvulus		0.0051	0.0686	0.1159
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0163	0.2817	0.2817
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0163	0.2817	0.2817
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.003	0.0291	0.0306
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0463	0.0487
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.003	0.0291	0.0291
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0892	0.0892
Echinococcus multilocularis	insulin receptor	0.0115	0.19	0.19
Schistosoma mansoni	tyrosine kinase	0.036	0.6554	0.6554
Entamoeba histolytica	hypothetical protein	0.0037	0.0412	0.2049
Onchocerca volvulus		0.003	0.028	0.0474
Echinococcus multilocularis	transforming protein RhoA	0.0121	0.2013	0.2013
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0236	0.4197	0.4197
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0516	0.9519	1
Brugia malayi	MH2 domain containing protein	0.0122	0.2029	0.2132
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.003	0.0291	0.0306
Mycobacterium tuberculosis	Conserved protein	0.0039	0.0463	0.1031
Plasmodium falciparum	T-complex protein 1 subunit beta	0.0024	0.0174	0.3942
Loa Loa (eye worm)	hypothetical protein	0.0163	0.2817	0.2959
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0039	0.0463	0.1031
Loa Loa (eye worm)	hypothetical protein	0.003	0.0291	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0463	0.0487
Mycobacterium ulcerans	acyl-CoA synthetase	0.0051	0.0686	1
Loa Loa (eye worm)	hypothetical protein	0.0353	0.6417	0.6741
Entamoeba histolytica	hypothetical protein	0.0037	0.0412	0.2049
Schistosoma mansoni	retinoic acid receptor RXR	0.003	0.0291	0.0291
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0.0463	0.6759
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0892	0.0892
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0192	0.4153
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.003	0.0291	0.0291
Onchocerca volvulus		0.0039	0.0463	0.0783
Loa Loa (eye worm)	TK/INSR protein kinase	0.0115	0.19	0.1996
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0463	0.1103
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0038	0.044	0.6421
Plasmodium vivax	acyl-CoA synthetase, putative	0.0038	0.044	0.95
Brugia malayi	RAS-like GTP-binding protein RhoA	0.0121	0.2013	0.2114
Loa Loa (eye worm)	hypothetical protein	0.003	0.0291	0.0306
Onchocerca volvulus		0.0039	0.0463	0.0783
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0192	0.4153
Echinococcus granulosus	epidermal growth factor receptor	0.0194	0.339	0.339
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.028	0.028
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0892	0.0937
Trichomonas vaginalis	chaperonin-60kD, ch60, putative	0.0024	0.0174	0.0413
Schistosoma mansoni	coup transcription factor	0.003	0.0291	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0463	0.0487
Schistosoma mansoni	tyrosine kinase	0.0191	0.3351	0.3351
Echinococcus multilocularis	ecdysone induced protein 78C	0.003	0.0291	0.0291
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.003	0.0291	0.0306
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0892	0.0892
Mycobacterium ulcerans	hypothetical protein	0.0051	0.0686	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0463	0.0463
Schistosoma mansoni	hypothetical protein	0.0163	0.2817	0.2817
Brugia malayi	RAS-like GTP-binding protein RhoA	0.0121	0.2013	0.2114
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0051	0.0686	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.028	0.6052
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.003	0.0291	0.0306
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0892	0.0892
Brugia malayi	Pre-SET motif family protein	0.003	0.028	0.0295
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0892	0.0892
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0016	0.0019	0.0019
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.003	0.0291	0.0306
Loa Loa (eye worm)	hypothetical protein	0.0516	0.9519	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0163	0.2817	0.2817
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0192	0.4153
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0463	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0236	0.4197	0.4197
Schistosoma mansoni	steroid hormone receptor ad4bp	0.003	0.0291	0.0291

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 1.1 uM	Antiproliferative activity against human MCF7 cells after 48 hrs by MTT assay	ChEMBL.	19914837
IC50 (binding)	= 1.34 uM	Inhibition of cloned EGFR autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA	ChEMBL.	19914837
IC50 (binding)	= 6.49 uM	Inhibition of human cloned HER2 autophosphorylation expressed in baculovirus-infected Sf9 cells by solid-phase ELISA	ChEMBL.	19914837

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	19914837

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: CHEMBL592200

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1089452