TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 604.778 | Formula: C30H40N2O7S2
H donors: 1 H acceptors: 5 LogP: 5.09 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: OC[C@H](N1C[C@@H](C)[C@H](Oc2c(S1(=O)=O)ccc(c2)C#CCC1CCCC1)CN(S(=O)(=O)c1ccccc1OC)C)C
InChi: 1S/C30H40N2O7S2/c1-22-19-32(23(2)21-33)41(36,37)30-17-16-25(13-9-12-24-10-5-6-11-24)18-27(30)39-28(22)20-31(3)40(34,35)29-15-8-7-14-26(29)38-4/h7-8,14-18,22-24,28,33H,5-6,10-12,19-21H2,1-4H3/t22-,23-,28-/m1/s1
InChiKey: LUSCQGWIOGZNHP-MVOZIGHISA-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	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	paired box 8	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Onchocerca volvulus		Get druggable targets OG5_139945	All targets in OG5_139945
Brugia malayi	Pax transcription factor protein 2	Get druggable targets OG5_139945	All targets in OG5_139945
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	pax transcription factor protein 2	Get druggable targets OG5_139945	All targets in OG5_139945
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	jumonji/arid domain-containing protein	0.004	0.002	0.002
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0165	0.0287	0.0287
Brugia malayi	hypothetical protein	0.0138	0.0229	0.0229
Brugia malayi	SH2 domain containing protein	0.0044	0.0028	0.0028
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0053	0.0053
Loa Loa (eye worm)	TK/FER protein kinase	0.0044	0.0028	0.0028
Schistosoma mansoni	serine/threonine protein kinase	0.0262	0.0494	0.0494
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0332	0.0642	0.5123
Brugia malayi	SH2 domain containing protein	0.0044	0.0028	0.0028
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0097	0.0142	0.0991
Loa Loa (eye worm)	TKL/RAF/RAF protein kinase	0.0154	0.0263	0.0263
Echinococcus granulosus	growth factor receptor bound protein 2	0.006	0.0063	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0007	0.0007
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0262	0.0494	0.0494
Schistosoma mansoni	hypothetical protein	0.0033	0.0005	0.0005
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0332	0.0642	0.5123
Echinococcus multilocularis	N chimaerin	0.0039	0.0019	0.0019
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0178	0.0315	0.0315
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0212	0.0387	0.0387
Brugia malayi	protein-tyrosine kinase	0.0178	0.0315	0.0315
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0044	0.0028	0.0028
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0022	0.0022
Onchocerca volvulus		0.0044	0.0028	0.0443
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0033	0.0005	0.0005
Giardia lamblia	Kinase, CMGC CK2	0.0609	0.1232	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0022	0.0022
Loa Loa (eye worm)	hyaluronidase	0.4728	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0097	0.0142	0.0991
Leishmania major	casein kinase II, putative	0.0609	0.1232	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0332	0.0642	0.5123
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0332	0.0642	0.5123
Brugia malayi	hypothetical protein	0.0044	0.0028	0.0028
Echinococcus granulosus	lysine specific demethylase 5A	0.004	0.002	0.002
Schistosoma mansoni	tyrosine kinase	0.0044	0.0028	0.0028
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0332	0.0642	0.5123
Brugia malayi	Bromodomain containing protein	0.0033	0.0005	0.0005
Trichomonas vaginalis	protein kinase ck2-beta, putative	0.0097	0.0142	0.0991
Schistosoma mansoni	jumonji/arid domain-containing protein	0.004	0.002	0.002
Brugia malayi	Variant SH3 domain containing protein	0.006	0.0063	0.0063
Loa Loa (eye worm)	jmjC domain-containing protein	0.004	0.002	0.002
Brugia malayi	MH2 domain containing protein	0.0144	0.0242	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0229	0.0229
Brugia malayi	Sex muscle abnormal protein 5	0.006	0.0063	0.0063
Onchocerca volvulus		0.0044	0.0028	0.0443
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0053	0.0053
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0208	0.0378	0.0378
Mycobacterium ulcerans	lipase LipD	0.0041	0.0022	0.5
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0097	0.0142	0.0991
Giardia lamblia	Casein kinase II beta chain	0.0097	0.0142	0.1112
Schistosoma mansoni	casein kinase II beta subunit	0.0332	0.0642	0.0642
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0044	0.0028	0.0028
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.006	0.0063	0.0063
Plasmodium falciparum	casein kinase 2, alpha subunit	0.0609	0.1232	1
Plasmodium vivax	casein kinase 2, alpha subunit, putative	0.0609	0.1232	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0053	0.0053
Schistosoma mansoni	tyrosine kinase	0.0121	0.0194	0.0194
Loa Loa (eye worm)	TK/FER protein kinase	0.0044	0.0028	0.0028
Echinococcus multilocularis	casein kinase ii subunit alpha	0.0609	0.1232	0.1232
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0033	0.0005	0.0005
Onchocerca volvulus	Huntingtin homolog	0.0138	0.0229	0.357
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0332	0.0642	0.5123
Schistosoma mansoni	protein kinase	0.0609	0.1232	0.1232
Mycobacterium ulcerans	beta-lactamase	0.0041	0.0022	0.5
Loa Loa (eye worm)	SRC-1	0.0208	0.0378	0.0378
Loa Loa (eye worm)	beta-lactamase	0.0041	0.0022	0.0022
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0332	0.0642	1
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0208	0.0378	0.0378
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0073	0.0092	0.0092
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0063	0.0063
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0332	0.0642	0.5123
Schistosoma mansoni	tyrosine kinase	0.0208	0.0378	0.0378
Mycobacterium leprae	Probable lipase LipE	0.0041	0.0022	0.5
Mycobacterium ulcerans	esterase/lipase LipP	0.0041	0.0022	0.5
Onchocerca volvulus		0.0044	0.0028	0.0443
Schistosoma mansoni	vav2	0.0039	0.0019	0.0019
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0178	0.0315	0.0315
Loa Loa (eye worm)	TK protein kinase	0.0178	0.0315	0.0315
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0097	0.0142	0.0991
Plasmodium vivax	SET domain protein, putative	0.0034	0.0007	0.0014
Schistosoma mansoni	jumonji domain containing protein	0.0085	0.0117	0.0117
Loa Loa (eye worm)	TK/ABL protein kinase	0.0044	0.0028	0.0028
Brugia malayi	RhoGAP domain containing protein	0.0039	0.0019	0.0019
Leishmania major	protein kinase ck2 regulatory subunit, putative	0.0332	0.0642	0.5123
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0041	0.0022	0.0022
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0032	0.0004	0.0004
Schistosoma mansoni	growth factor receptor-bound protein	0.006	0.0063	0.0063
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0073	0.0092	0.0092
Toxoplasma gondii	CMGC kinase, CK2 family	0.0609	0.1232	1
Plasmodium vivax	unspecified product	0.0609	0.1232	1
Trichomonas vaginalis	CMGC family protein kinase	0.0609	0.1232	1
Entamoeba histolytica	protein kinase, putative	0.0035	0.0009	0.0072
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0208	0.0378	0.0378
Brugia malayi	Pre-SET motif family protein	0.0034	0.0007	0.0007
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0208	0.0378	0.0378
Schistosoma mansoni	tyrosine kinase	0.0183	0.0325	0.0325
Echinococcus granulosus	epidermal growth factor receptor	0.0356	0.0693	0.0693
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0053	0.0053
Brugia malayi	Variant SH3 domain containing protein	0.006	0.0063	0.0063
Echinococcus multilocularis	NCK adaptor protein	0.006	0.0063	0.0063
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.0332	0.0642	0.5123
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0039	0.0019	0.0019
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0034	0.0007	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0022	0.0022
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0035	0.0009	0.0072
Schistosoma mansoni	tyrosine kinase	0.0183	0.0325	0.0325
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.006	0.0063	0.0063
Echinococcus granulosus	N chimaerin	0.0039	0.0019	0.0019
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0097	0.0142	0.1149
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0097	0.0142	0.0991
Schistosoma mansoni	tyrosine kinase	0.0183	0.0325	0.0325
Toxoplasma gondii	ck2 beta subunit	0.0332	0.0642	0.5188
Echinococcus granulosus	tyrosine protein kinase HCK	0.0148	0.025	0.025
Brugia malayi	beta-lactamase family protein	0.0041	0.0022	0.0022
Entamoeba histolytica	protein kinase domain containing protein	0.0609	0.1232	1
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0229	0.0229
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0097	0.0142	0.0991
Loa Loa (eye worm)	TK/FER protein kinase	0.0044	0.0028	0.0028
Echinococcus granulosus	tyrosine protein kinase Blk	0.0178	0.0315	0.0315
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0063	0.0063
Schistosoma mansoni	tyrosine kinase	0.0073	0.0092	0.0092
Giardia lamblia	Casein kinase II beta chain	0.0332	0.0642	0.5188
Loa Loa (eye worm)	hypothetical protein	0.006	0.0063	0.0063
Echinococcus granulosus	histone lysine methyltransferase setb	0.0034	0.0007	0.0007
Loa Loa (eye worm)	jmjC domain-containing protein	0.0068	0.008	0.008
Brugia malayi	Casein kinase II, alpha chain	0.0609	0.1232	0.1232
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.0242	0.0242
Echinococcus granulosus	tyrosine kinase	0.0178	0.0315	0.0315
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0041	0.0022	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0055	0.0055
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0332	0.0642	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0053	0.0053
Onchocerca volvulus		0.0044	0.0028	0.0443
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0044	0.0028	0.0231
Brugia malayi	Pre-SET motif family protein	0.0234	0.0434	0.0434
Trichomonas vaginalis	protein kinase ck2-beta, putative	0.0097	0.0142	0.0991
Brugia malayi	jmjC domain containing protein	0.0108	0.0164	0.0164
Echinococcus multilocularis	tyrosine kinase	0.0044	0.0028	0.0028
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0208	0.0378	0.0378
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0022	0.0022
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0208	0.0378	0.0378
Loa Loa (eye worm)	casein kinase II	0.0097	0.0142	0.0142
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0121	0.0194	0.0194
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.006	0.0063	0.0063
Onchocerca volvulus		0.0267	0.0503	0.7845
Echinococcus granulosus	tyrosine kinase	0.0044	0.0028	0.0028
Echinococcus multilocularis	epidermal growth factor receptor	0.0196	0.0353	0.0353
Schistosoma mansoni	hypothetical protein	0.0041	0.0023	0.0023
Echinococcus granulosus	raf serine:threonine protein kinase	0.0262	0.0494	0.0494
Echinococcus granulosus	insulin receptor	0.0121	0.0194	0.0194
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0023	0.0023
Echinococcus granulosus	c src tyrosine kinase	0.0073	0.0092	0.0092
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0097	0.0142	0.0991
Schistosoma mansoni	tyrosine kinase	0.0196	0.0353	0.0353
Schistosoma mansoni	tyrosine kinase	0.0073	0.0092	0.0092
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0034	0.0007	0.0007
Schistosoma mansoni	tyrosine kinase	0.0356	0.0693	0.0693
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0053	0.0053
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0332	0.0642	0.5123
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0178	0.0315	0.0315
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0073	0.0092	0.0092
Brugia malayi	beta-lactamase	0.0041	0.0022	0.0022
Brugia malayi	Pax transcription factor protein 2	0.0291	0.0554	0.0554
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.0332	0.0642	0.5123
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0332	0.0642	0.5208
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0041	0.0022	0.0022
Brugia malayi	SRC-1	0.0208	0.0378	0.0378
Echinococcus multilocularis	lysine specific demethylase 5A	0.004	0.002	0.002
Echinococcus granulosus	beta LACTamase domain containing family member	0.0041	0.0022	0.0022
Brugia malayi	Protein kinase domain containing protein	0.0044	0.0028	0.0028
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0208	0.0378	0.0378
Schistosoma mansoni	adapter molecule crk	0.006	0.0063	0.0063
Echinococcus multilocularis	epidermal growth factor receptor	0.0356	0.0693	0.0693
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0073	0.0092	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0005	0.0005
Echinococcus multilocularis	tyrosine protein kinase shark	0.0044	0.0028	0.0028
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0007	0.0007
Plasmodium falciparum	casein kinase II beta chain	0.0332	0.0642	0.5188
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0332	0.0642	0.5123
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0332	0.0642	0.5123
Trypanosoma brucei	Casein kinase II	0.0609	0.1232	1
Schistosoma mansoni	tyrosine kinase	0.0121	0.0194	0.0194
Loa Loa (eye worm)	TK/FER protein kinase	0.0044	0.0028	0.0028
Plasmodium falciparum	casein kinase II beta chain	0.0332	0.0642	0.5188
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0022	0.0022
Trichomonas vaginalis	CMGC family protein kinase	0.0609	0.1232	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0097	0.0142	0.0991
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0044	0.0028	0.0028
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0332	0.0642	0.5123
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0022	0.0022
Brugia malayi	Tyrosine-protein kinase abl-1	0.0073	0.0092	0.0092
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0332	0.0642	0.5123
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0332	0.0642	0.5123
Brugia malayi	Csnk2b protein	0.0332	0.0642	0.0642
Trypanosoma brucei	Casein kinase II subunit beta, putative	0.0332	0.0642	0.5123
Entamoeba histolytica	protein kinase, putative	0.0148	0.025	0.2032
Echinococcus granulosus	tyrosine protein kinase shark	0.0044	0.0028	0.0028
Echinococcus multilocularis	insulin receptor	0.0121	0.0194	0.0194
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0039	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.2008	0.4211	0.4211
Loa Loa (eye worm)	TK/FER protein kinase	0.0044	0.0028	0.0028
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0148	0.025	0.025
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0178	0.0315	0.0315
Echinococcus multilocularis	c src tyrosine kinase	0.0073	0.0092	0.0092
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0044	0.0028	0.0028
Onchocerca volvulus		0.0034	0.0007	0.0114
Loa Loa (eye worm)	PHD-finger family protein	0.0033	0.0005	0.0005
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0039	0.0019	0.0019
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0022	0.0134
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0039	0.0019	0.0019
Mycobacterium ulcerans	hypothetical protein	0.0041	0.0022	0.5
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0028	0.0028
Loa Loa (eye worm)	TK/FER protein kinase	0.0044	0.0028	0.0028
Schistosoma mansoni	nck2/grb4	0.006	0.0063	0.0063
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0053	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0022	0.0022
Loa Loa (eye worm)	TK/FER protein kinase	0.0044	0.0028	0.0028
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0097	0.0142	0.1149
Echinococcus multilocularis	peregrin	0.0033	0.0005	0.0005
Mycobacterium leprae	conserved hypothetical protein	0.0041	0.0022	0.5
Entamoeba histolytica	casein kinase, putative	0.0609	0.1232	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0023	0.0023
Brugia malayi	Raf kinase	0.0254	0.0475	0.0475
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0097	0.0142	0.0991
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0208	0.0378	0.0378
Plasmodium vivax	casein kinase II beta chain, putative	0.0332	0.0642	0.5188
Echinococcus granulosus	casein kinase ii subunit alpha	0.0609	0.1232	0.1232
Echinococcus multilocularis	bifunctional protein NCOAT	0.4728	1	1
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0332	0.0642	0.5208
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0097	0.0142	0.0991
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0356	0.0693	0.0693
Brugia malayi	Protein kinase domain containing protein	0.0044	0.0028	0.0028
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0332	0.0642	0.5123
Echinococcus granulosus	casein kinase ii subunit beta	0.0332	0.0642	0.0642
Schistosoma mansoni	Hyaluronidase	0.4728	1	1
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0208	0.0378	0.0378
Brugia malayi	casein kinase II, putaitve	0.0097	0.0142	0.0142
Loa Loa (eye worm)	CMGC/CK2 protein kinase	0.0609	0.1232	0.1232
Onchocerca volvulus	Huntingtin homolog	0.0138	0.0229	0.357
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0007	0.0007
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0039	0.0019	0.0019
Schistosoma mansoni	serine/threonine protein kinase	0.0043	0.0027	0.0027
Trichomonas vaginalis	CMGC family protein kinase	0.0609	0.1232	1
Schistosoma mansoni	tyrosine kinase	0.0208	0.0378	0.0378
Brugia malayi	Protein kinase domain containing protein	0.0044	0.0028	0.0028
Echinococcus granulosus	jumonji domain containing protein	0.0046	0.0033	0.0033
Brugia malayi	PHD-finger family protein	0.0033	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0022	0.0022
Echinococcus granulosus	bifunctional protein NCOAT	0.4728	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.0609	0.1232	1
Brugia malayi	beta-lactamase family protein	0.0041	0.0022	0.0022
Schistosoma mansoni	aminopeptidase P homologue (M24 family)	0.4728	1	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0041	0.0022	0.5
Loa Loa (eye worm)	Csnk2b protein	0.0332	0.0642	0.0642
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0007	0.0007
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0234	0.0434	0.0434
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0208	0.0378	0.0378
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0208	0.0378	0.0378
Loa Loa (eye worm)	TK/FER protein kinase	0.0044	0.0028	0.0028
Loa Loa (eye worm)	TK protein kinase	0.0148	0.025	0.025
Echinococcus multilocularis	jumonji domain containing protein	0.0046	0.0033	0.0033
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0097	0.0142	0.0991
Trichomonas vaginalis	set domain proteins, putative	0.0267	0.0503	0.398
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0034	0.0007	0.0007
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0063	0.0063
Loa Loa (eye worm)	TK/FER protein kinase	0.0044	0.0028	0.0028
Onchocerca volvulus		0.0041	0.0022	0.0336
Onchocerca volvulus	Alhambra homolog	0.0033	0.0005	0.008
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0108	0.0164	0.0164
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0053	0.0053
Toxoplasma gondii	casein kinase ii regulatory subunit protein	0.0332	0.0642	0.5188
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0208	0.0378	0.0378
Onchocerca volvulus		0.0044	0.0028	0.0443
Trypanosoma cruzi	casein kinase II, putative	0.0609	0.1232	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0259	0.0487	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0097	0.0142	0.0991
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0108	0.0164	0.0164
Echinococcus granulosus	epidermal growth factor receptor	0.0196	0.0353	0.0353
Onchocerca volvulus		0.0034	0.0007	0.0106
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0165	0.0287	0.0287
Schistosoma mansoni	growth factor receptor-bound protein	0.006	0.0063	0.0063
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0208	0.0378	0.0378
Onchocerca volvulus		0.0044	0.0028	0.0443
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0208	0.0378	0.0378
Echinococcus multilocularis	casein kinase ii subunit beta	0.0332	0.0642	0.0642
Loa Loa (eye worm)	pax transcription factor protein 2	0.0291	0.0554	0.0554
Brugia malayi	Protein kinase domain containing protein	0.0044	0.0028	0.0028
Echinococcus granulosus	peregrin	0.0033	0.0005	0.0005
Loa Loa (eye worm)	TK/FER protein kinase	0.0044	0.0028	0.0028
Brugia malayi	Furin-like cysteine rich region family protein	0.0356	0.0693	0.0693
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0196	0.0353	0.0353
Onchocerca volvulus		0.0041	0.0022	0.0336
Brugia malayi	Protein kinase domain containing protein	0.0121	0.0194	0.0194
Echinococcus granulosus	tyrosine protein kinase Srms	0.0044	0.0028	0.0028
Brugia malayi	Protein kinase domain containing protein	0.0044	0.0028	0.0028
Echinococcus multilocularis	growth factor receptor bound protein 2	0.006	0.0063	0.0063
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0332	0.0642	0.5123
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0053	0.0053
Trichomonas vaginalis	CMGC family protein kinase	0.0609	0.1232	1
Trichomonas vaginalis	CMGC family protein kinase	0.0609	0.1232	1
Schistosoma mansoni	tyrosine kinase	0.0044	0.0028	0.0028
Loa Loa (eye worm)	raf kinase	0.0249	0.0465	0.0465
Schistosoma mansoni	tyrosine kinase	0.0196	0.0353	0.0353
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0034	0.0007	0.0007
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0097	0.0142	0.0991
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0208	0.0378	0.0378
Brugia malayi	Variant SH3 domain containing protein	0.0039	0.0019	0.0019
Onchocerca volvulus		0.0041	0.0022	0.0336
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0332	0.0642	0.5208
Toxoplasma gondii	ABC1 family protein	0.0041	0.0022	0.0134
Loa Loa (eye worm)	hypothetical protein	0.006	0.0063	0.0063
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0121	0.0194	0.0194
Onchocerca volvulus		0.0291	0.0554	0.8633
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.0242	0.0242
Plasmodium vivax	casein kinase II beta chain, putative	0.0332	0.0642	0.5188
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0208	0.0378	0.0378
Echinococcus granulosus	NCK adaptor protein	0.006	0.0063	0.0063
Brugia malayi	jmjC domain containing protein	0.004	0.002	0.002
Loa Loa (eye worm)	TK/INSR protein kinase	0.0121	0.0194	0.0194
Trichomonas vaginalis	CMGC family protein kinase	0.0609	0.1232	1
Echinococcus granulosus	PHD finger protein rhinoceros	0.0033	0.0005	0.0005
Echinococcus multilocularis		0.0107	0.0162	0.0162

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)	= 4.83 uM	PubChem BioAssay. HTS for PAX8 inhibitors using PAX8 luciferase reporter gene assay in RMG-I cells Measured in Cell-Based System Using Plate Reader - 7054-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PUBCHEM_BIOASSAY: qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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: CHEMBL1864597

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1062432