TDR Targets

Basic information

Technical information

TDR Targets ID: 132805
Name: (2S)-2-(butylsulfonylamino)-3-[[2-(2-piperidi n-4-ylethyl)thieno[3,2-b]thiophene-5-carbonyl ]amino]propanoic acid
MW: 501.683 | Formula: C21H31N3O5S3
H donors: 4 H acceptors: 5 LogP: 0.99 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: CCCCS(=O)(=O)N[C@H](C(=O)O)CNC(=O)c1sc2c(c1)sc(c2)CCC1CCNCC1
InChi: 1S/C21H31N3O5S3/c1-2-3-10-32(28,29)24-16(21(26)27)13-23-20(25)19-12-18-17(31-19)11-15(30-18)5-4-14-6-8-22-9-7-14/h11-12,14,16,22,24H,2-10,13H2,1H3,(H,23,25)(H,26,27)/t16-/m0/s1
InChiKey: KFNHSIQLBWLFMH-INIZCTEOSA-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

(2S)-2-(butylsulfonylamino)-3-[[2-[2-(4-piperidyl)ethyl]thieno[3,2-b]thiophene-5-carbonyl]amino]propanoic acid
(2S)-2-(butylsulfonylamino)-3-[[oxo-[2-[2-(4-piperidinyl)ethyl]-5-thieno[3,2-b]thiophenyl]methyl]amino]propanoic acid
(2S)-2-(butylsulfonylamino)-3-[[2-(2-piperidin-4-ylethyl)thieno[3,2-b]thiophen-5-yl]carbonylamino]propanoic acid
(2S)-2-(butylsulfonylamino)-3-[[2-[2-(4-piperidyl)ethyl]thieno[3,2-b]thiophene-5-carbonyl]amino]propionic acid
(2S)-2-(butylsulfonylamino)-3-[[2-(2-piperidin-4-ylethyl)thieno[4,5-b]thiophene-5-carbonyl]amino]propanoic acid
(2S)-2-(butylsulfonylamino)-3-[[2-[2-(4-piperidyl)ethyl]thieno[4,5-b]thiophene-5-carbonyl]amino]propanoic acid
(2S)-2-(butylsulfonylamino)-3-[[oxo-[2-[2-(4-piperidinyl)ethyl]-5-thieno[4,5-b]thiophenyl]methyl]amino]propanoic acid
(2S)-2-(butylsulfonylamino)-3-[[2-[2-(4-piperidyl)ethyl]thieno[4,5-b]thiophene-5-carbonyl]amino]propionic acid
(2S)-2-(butylsulfonylamino)-3-[[2-(2-piperidin-4-ylethyl)thieno[4,5-b]thiophen-5-yl]carbonylamino]propanoic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	integrin, alpha 2b (platelet glycoprotein IIb of IIb/IIIa complex, antigen CD41)	Starlite/ChEMBL	References
Homo sapiens	integrin, beta 3 (platelet glycoprotein IIIa, antigen CD61)		References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	integrin beta 2	Get druggable targets OG5_127959	All targets in OG5_127959
Brugia malayi	Integrin alpha pat-2 precursor	Get druggable targets OG5_129341	All targets in OG5_129341
Schistosoma japonicum	Integrin beta-3 precursor, putative	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma japonicum	ko:K06464 integrin beta 2, putative	Get druggable targets OG5_127959	All targets in OG5_127959
Brugia malayi	Integrin beta pat-3 precursor	Get druggable targets OG5_127959	All targets in OG5_127959
Echinococcus granulosus	integrin alpha 3	Get druggable targets OG5_129341	All targets in OG5_129341
Echinococcus multilocularis	integrin alpha 3	Get druggable targets OG5_129341	All targets in OG5_129341
Schistosoma japonicum	Integrin beta-PS precursor, putative	Get druggable targets OG5_127959	All targets in OG5_127959
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129341	All targets in OG5_129341
Schistosoma mansoni	integrin beta subunit	Get druggable targets OG5_127959	All targets in OG5_127959
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129341	All targets in OG5_129341
Schistosoma japonicum	IPR013513,Integrin alpha chain, C-terminal cytoplasmic region,domain-containing	Get druggable targets OG5_129341	All targets in OG5_129341
Schistosoma mansoni	integrin alpha	Get druggable targets OG5_129341	All targets in OG5_129341
Loa Loa (eye worm)	integrin beta-2	Get druggable targets OG5_127959	All targets in OG5_127959
Loa Loa (eye worm)	integrin alpha pat-2	Get druggable targets OG5_129341	All targets in OG5_129341
Echinococcus granulosus	integrin beta 2	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma japonicum	ko:K06476 integrin alpha 2B, putative	Get druggable targets OG5_129341	All targets in OG5_129341

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
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0035	0.0104	0.0103
Echinococcus granulosus	nmda type glutamate receptor	0.0321	0.4556	0.4555
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0104	0.0007
Onchocerca volvulus		0.0035	0.0104	0.0276
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0067	0.0615	0.0599
Loa Loa (eye worm)	metabotropic glutamate receptor 8	0.0035	0.0104	0.0007
Echinococcus granulosus	glutamate receptor 2	0.0102	0.1152	0.1152
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0017	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0104	0.0007
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.1012	0.1012
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0035	0.0104	0.0007
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0347	0.0637
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.014	0.1737	0.319
Loa Loa (eye worm)	hypothetical protein	0.005	0.0347	0.0462
Brugia malayi	Receptor family ligand binding region containing protein	0.0035	0.0104	0.019
Brugia malayi	Integrin alpha pat-2 precursor	0.0185	0.2436	0.4474
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0067	0.0606	0.0606
Brugia malayi	MH2 domain containing protein	0.0116	0.1371	0.2518
Loa Loa (eye worm)	hypothetical protein	0.004	0.0183	0.0155
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.1012	0.0997
Schistosoma mansoni	glutamate receptor NMDA	0.0067	0.0615	0.0599
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.004	0.0192	0.0175
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0035	0.0104	0.019
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.1012	0.0997
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.1012	0.1012
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0067	0.0615	0.0599
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.0067	0.0615	0.0614
Echinococcus multilocularis	Ribosomal protein S1, RNA binding domain	0.0067	0.0615	0.0599
Echinococcus granulosus	glutamate receptor NMDA	0.0081	0.0818	0.0818
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.024	0.3303	0.3292
Echinococcus multilocularis	glutamate receptor 2	0.0067	0.0615	0.0599
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0347	0.0462
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0276	0.0329
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.1012	0.0997
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.0067	0.0615	0.0599
Loa Loa (eye worm)	hypothetical protein	0.0145	0.1819	0.3217
Plasmodium vivax	SET domain protein, putative	0.0029	0.0017	0.5
Echinococcus granulosus	tyrosine kinase	0.0035	0.0104	0.0103
Echinococcus granulosus	nmda type glutamate receptor	0.0115	0.1356	0.1355
Echinococcus multilocularis	tyrosine kinase	0.0035	0.0104	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0798	0.1307
Entamoeba histolytica	hypothetical protein	0.0035	0.0104	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0104	0.0007
Schistosoma mansoni	integrin alpha-ps	0.0043	0.0236	0.0219
Onchocerca volvulus	Huntingtin homolog	0.0119	0.1418	0.4476
Echinococcus multilocularis	integrin beta 2	0.028	0.3921	0.3911
Echinococcus multilocularis	microtubule associated protein 2	0.0671	1	1
Schistosoma mansoni	hypothetical protein	0.0067	0.0615	0.0599
Mycobacterium tuberculosis	Probable glutamine-binding lipoprotein GlnH (GLNBP)	0.0173	0.2254	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.1371	0.2378
Schistosoma mansoni	glutamate receptor AMPA	0.0067	0.0615	0.0599
Brugia malayi	metabotropic glutamate receptor type 2	0.0035	0.0104	0.019
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1418	0.2467
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0309	0.0391
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0067	0.0615	0.0614
Echinococcus granulosus	receptor type guanylyl cyclase	0.0035	0.0104	0.0103
Brugia malayi	Glutamate receptor 1 precursor	0.0067	0.0615	0.1129
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0314	0.0401
Schistosoma mansoni	hypothetical protein	0.004	0.0183	0.0166
Trypanosoma cruzi	extracellular receptor, putative	0.0035	0.0104	0.5
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0102	0.1152	0.1152
Loa Loa (eye worm)	glutamate receptor	0.0035	0.0104	0.0007
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.01	0.0183
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0048	0.0314	0.0298
Brugia malayi	Bromodomain containing protein	0.0043	0.0233	0.0429
Echinococcus granulosus	atrial natriuretic peptide receptor	0.0035	0.0104	0.0103
Brugia malayi	Guanylyl cyclase protein 23	0.0035	0.0104	0.019
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0067	0.0606	0.059
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0035	0.0104	0.0007
Onchocerca volvulus		0.0035	0.0104	0.0276
Schistosoma mansoni	glutamate receptor kainate	0.0067	0.0615	0.0599
Echinococcus granulosus	integrin alpha 3	0.0142	0.1766	0.1766
Echinococcus multilocularis	NMDA receptor	0.0067	0.0615	0.0599
Brugia malayi	Integrin beta pat-3 precursor	0.0378	0.5445	1
Schistosoma mansoni	glutamate receptor AMPA	0.0067	0.0615	0.0599
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein	0.0173	0.2254	0.5
Loa Loa (eye worm)	integrin alpha pat-2	0.0285	0.399	0.7279
Brugia malayi	Pre-SET motif family protein	0.0202	0.2713	0.4982
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.004	0.0192	0.0192
Schistosoma mansoni	hypothetical protein	0.0519	0.7638	0.7634
Chlamydia trachomatis	glutamine binding protein	0.0173	0.2254	0.5
Mycobacterium ulcerans	glutamine-binding lipoprotein GlnH	0.0173	0.2254	0.5
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0035	0.0104	0.0103
Onchocerca volvulus	Atrial natriuretic peptide receptor 3 homolog	0.0035	0.0104	0.0276
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0102	0.1152	0.1152
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.1012	0.0997
Leishmania major	extracellular receptor, putative	0.0035	0.0104	0.5
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0102	0.1152	0.1152
Schistosoma mansoni	glutamate receptor kainate	0.0067	0.0615	0.0599
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.1371	0.2378
Echinococcus multilocularis	glutamate receptor 2	0.0102	0.1152	0.1137
Onchocerca volvulus		0.023	0.3147	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0236	0.0254
Echinococcus multilocularis	integrin alpha ps	0.004	0.0183	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0104	0.0007
Brugia malayi	hypothetical protein	0.0057	0.0459	0.0843
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0035	0.0104	0.019
Brugia malayi	Glutamate receptor 2 precursor	0.0067	0.0615	0.1129
Schistosoma mansoni	integrin alpha	0.0185	0.2436	0.2423
Chlamydia trachomatis	arginine ABC transporter substrate-binding protein ArtJ	0.0173	0.2254	0.5
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.0067	0.0615	0.0614
Schistosoma mansoni	tyrosine kinase	0.0035	0.0104	0.0086
Echinococcus granulosus	Ribosomal protein S1 RNA binding domain	0.0067	0.0615	0.0614
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0048	0.0314	0.0298
Loa Loa (eye worm)	glutamate receptor 1	0.0067	0.0615	0.0963
Echinococcus granulosus	integrin alpha ps	0.0083	0.0853	0.0852
Echinococcus granulosus	glutamate receptor 2	0.0035	0.0104	0.0103
Loa Loa (eye worm)	integrin beta-2	0.0378	0.5445	1
Schistosoma mansoni	bromodomain containing protein	0.0071	0.0669	0.0653
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0104	0.0007
Schistosoma mansoni	tyrosine kinase	0.0035	0.0104	0.0086
Trichomonas vaginalis	set domain proteins, putative	0.023	0.3147	0.5
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0459	0.0672
Echinococcus granulosus	geminin	0.0519	0.7638	0.7638
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0102	0.1152	0.1137
Schistosoma mansoni	metabotropic glutamate receptor	0.0035	0.0104	0.0086
Echinococcus granulosus	integrin alpha ps	0.004	0.0183	0.0182
Schistosoma mansoni	microtubule-associated protein tau	0.0671	1	1
Schistosoma mansoni	glutamate receptor NMDA	0.0183	0.2405	0.2392
Schistosoma mansoni	metabotropic glutamate receptor	0.0035	0.0104	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0104	0.0007
Brugia malayi	hypothetical protein	0.0119	0.1418	0.2605
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0104	0.0007
Brugia malayi	hypothetical protein	0.0035	0.0104	0.019
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0102	0.1152	0.1137
Schistosoma mansoni	protein kinase	0.0035	0.0104	0.0086
Echinococcus multilocularis	integrin alpha ps	0.0083	0.0853	0.0837
Loa Loa (eye worm)	glutamate receptor 2	0.0067	0.0615	0.0963
Echinococcus granulosus	histone lysine methyltransferase setb	0.0048	0.0314	0.0314
Echinococcus granulosus	integrin beta 2	0.028	0.3921	0.3921
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0102	0.1152	0.1152
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0035	0.0104	0.0086
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0057	0.0459	0.0672
Brugia malayi	Bromodomain containing protein	0.0084	0.0873	0.1603
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1418	0.2467
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0035	0.0104	0.0007
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0035	0.0104	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0104	0.0007
Loa Loa (eye worm)	hypothetical protein	0.014	0.1737	0.3063
Schistosoma mansoni	hypothetical protein	0.0519	0.7638	0.7634
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.1012	0.0997
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0235	0.0252
Schistosoma mansoni	glutamate receptor kainate	0.0067	0.0615	0.0599
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1149	0.1963
Echinococcus multilocularis	glutamate receptor 2	0.0035	0.0104	0.0086
Brugia malayi	Receptor family ligand binding region containing protein	0.0035	0.0104	0.019
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0102	0.1152	0.1137
Schistosoma mansoni	integrin beta subunit	0.0223	0.3028	0.3016
Brugia malayi	Kelch motif family protein	0.0057	0.0459	0.0843
Schistosoma mansoni	hypothetical protein	0.0034	0.01	0.0083
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0102	0.1152	0.1137
Echinococcus multilocularis	glutamate receptor NMDA	0.0081	0.0818	0.0802
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein (hisJ)	0.0173	0.2254	0.5
Onchocerca volvulus	Huntingtin homolog	0.0119	0.1418	0.4476
Echinococcus multilocularis	geminin	0.0519	0.7638	0.7634
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0347	0.0637
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0067	0.0615	0.0614
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0035	0.0104	0.0086
Echinococcus multilocularis	integrin alpha 3	0.0142	0.1766	0.1752
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0035	0.0104	0.0007
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0202	0.2713	0.4888
Brugia malayi	Pre-SET motif family protein	0.0029	0.0017	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0104	0.0007
Echinococcus multilocularis	nmda type glutamate receptor	0.0321	0.4556	0.4546
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0093	0.1012	0.1859
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0048	0.0314	0.0298
Echinococcus multilocularis	nmda type glutamate receptor	0.0115	0.1356	0.1341
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0093	0.1012	0.1707
Echinococcus multilocularis	atrial natriuretic peptide receptor	0.0035	0.0104	0.0086
Echinococcus multilocularis	receptor type guanylyl cyclase	0.0035	0.0104	0.0086
Schistosoma mansoni	integrin alpha-ps	0.0083	0.0853	0.0837
Echinococcus multilocularis	integrin alpha ps	0.0083	0.0853	0.0837
Schistosoma mansoni	ATP-binding cassette transporter	0.0067	0.0615	0.0599

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (binding)	= 0.21 nM	Tested for the inhibition of [125 I] -L 692,884 binding to purified GPIIb/IIIa coated onto yttrium silicate Scintillation proximity assay fluomicrospheres	ChEMBL.	No reference
ED50 (binding)	= 0.21 nM	In vitro inhibition of [125I]L-692,884 binding to Fibrinogen receptor by silicate scintillation proximity assay(SPA)	ChEMBL.	10395482
ED50 (binding)	= 0.21 nM	In vitro inhibition of [125I]L-692,884 binding to Fibrinogen receptor by silicate scintillation proximity assay(SPA)	ChEMBL.	10395482
IC50 (functional)	= 10 nM	The compound was tested for the inhibition of platelet aggregation	ChEMBL.	No reference
IC50 (functional)	= 10 nM	The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)	ChEMBL.	10395482
IC50 (functional)	= 10 nM	The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)	ChEMBL.	10395482
IC50 (functional)	= 10 nM	The compound was tested for the inhibition of platelet aggregation	ChEMBL.	No reference
Kd (functional)	= 3 nM	Measured by competition with fluorescent ligand L-762,745 for binding to resting human gel filtered platelets using flow cyotmetry	ChEMBL.	No reference
Kd (binding)	= 3 nM	Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry	ChEMBL.	10395482
Kd (binding)	= 3 nM	Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry	ChEMBL.	10395482
Kd (functional)	= 3 nM	Measured by competition with fluorescent ligand L-762,745 for binding to resting human gel filtered platelets using flow cyotmetry	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: CHEMBL312113
PubChem: 10767757

Bibliographic References

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Detailed information for compound 132805