TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 416.878 | Formula: C21H23ClN3O4-
H donors: 4 H acceptors: 4 LogP: -1.23 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc2c(c1)CNC2)CCC(=O)NC(c1ccccc1)CC(=O)O.[Cl-]
InChi: 1S/C21H23N3O4.ClH/c25-19(23-17-7-6-15-12-22-13-16(15)10-17)8-9-20(26)24-18(11-21(27)28)14-4-2-1-3-5-14;/h1-7,10,18,22H,8-9,11-13H2,(H,23,25)(H,24,26)(H,27,28);1H/p-1
InChiKey: RBABMOJRGASPSQ-UHFFFAOYSA-M

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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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	fetal alzheimer antigen falz	0.0047	0.0174	0.0174
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0151	0.1671	0.4083
Onchocerca volvulus		0.0048	0.0194	0.0291
Schistosoma mansoni	integrin alpha	0.0185	0.2162	0.2162
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0058	0.0333	0.0575
Trichomonas vaginalis	esterase, putative	0.0035	0.0004	0.0006
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.0856	0.0856
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0004	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0004	0.0007
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.0856	0.0856
Plasmodium falciparum	thioredoxin reductase	0.0053	0.0257	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0151	0.1671	0.4083
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0072	0.0533	0.0533
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0053	0.0257	0.0923
Schistosoma mansoni	hypothetical protein	0.0072	0.0533	0.0533
Schistosoma mansoni	survival motor neuron protein	0.0051	0.0229	0.0229
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0094	0.0856	0.0856
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0004	0.0006
Brugia malayi	Pre-SET motif family protein	0.0436	0.5791	1
Onchocerca volvulus		0.0035	0.0004	0.0006
Trypanosoma brucei	trypanothione reductase	0.0053	0.0257	0.0629
Brugia malayi	beta-lactamase	0.0035	0.0004	0.0007
Schistosoma mansoni	hypothetical protein	0.031	0.3971	0.3971
Entamoeba histolytica	hypothetical protein	0.0072	0.0533	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0124	0.1292	0.1292
Brugia malayi	hypothetical protein	0.0249	0.3095	0.5344
Loa Loa (eye worm)	integrin alpha pat-2	0.0285	0.3607	0.6228
Echinococcus granulosus	GPCR family 2	0.0047	0.0173	0.0173
Mycobacterium tuberculosis	Probable reductase	0.012	0.1234	0.4484
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0333	0.0575
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0004	0.0007
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0168	0.1917	0.6975
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0094	0.0856	0.0856
Loa Loa (eye worm)	thioredoxin reductase	0.0053	0.0257	0.0444
Echinococcus multilocularis	tumor protein p63	0.0331	0.4271	0.4271
Loa Loa (eye worm)	hypothetical protein	0.0145	0.1589	0.2744
Schistosoma mansoni	integrin alpha-ps	0.0043	0.0118	0.0118
Brugia malayi	TAR-binding protein	0.0324	0.4171	0.7202
Plasmodium vivax	SET domain protein, putative	0.0063	0.0398	1
Brugia malayi	PHD-finger family protein	0.0052	0.0245	0.0423
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0194	0.0194
Loa Loa (eye worm)	transcription factor SMAD2	0.0238	0.2927	0.5054
Loa Loa (eye worm)	RNA binding protein	0.0324	0.4171	0.7202
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0075	0.0577	0.0577
Brugia malayi	beta-lactamase family protein	0.0035	0.0004	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0912	0.1574
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0047	0.0173	0.0173
Plasmodium vivax	glutathione reductase, putative	0.0053	0.0257	0.6424
Brugia malayi	latrophilin 2 splice variant baaae	0.0101	0.096	0.1658
Loa Loa (eye worm)	hypothetical protein	0.014	0.1513	0.2612
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0047	0.0173	0.0173
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0148	0.1638	0.2829
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0051	0.0231	0.0231
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0122	0.1259	0.1259
Echinococcus granulosus	integrin alpha ps	0.004	0.0068	0.0068
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0151	0.1671	0.4083
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0194	0.0335
Loa Loa (eye worm)	glutathione reductase	0.0053	0.0257	0.0444
Loa Loa (eye worm)	hypothetical protein	0.008	0.065	0.1123
Echinococcus granulosus	tar DNA binding protein	0.0324	0.4171	0.4171
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0051	0.0231	0.0231
Echinococcus multilocularis	zinc finger protein	0.0041	0.0084	0.0084
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0201	0.2396	0.2396
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0051	0.0229	0.0396
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0124	0.1292	0.1292
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0004	0.0007
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0134	0.1428	0.5191
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0201	0.2396	0.2396
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0045	0.0142	0.0346
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.012	0.1234	0.8637
Loa Loa (eye worm)	MH2 domain-containing protein	0.0238	0.2927	0.5054
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0047	0.0173	0.0299
Mycobacterium tuberculosis	Probable dehydrogenase	0.012	0.1234	0.4484
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0058	0.0333	0.0333
Leishmania major	mitochondrial DNA polymerase beta	0.0318	0.4093	1
Trichomonas vaginalis	set domain proteins, putative	0.0496	0.6661	1
Toxoplasma gondii	hypothetical protein	0.0051	0.0237	0.5901
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.012	0.1234	0.4484
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.012	0.1234	0.4484
Echinococcus granulosus	tumor protein p63	0.0331	0.4271	0.4271
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0047	0.0174	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0118	0.0203
Echinococcus multilocularis	polycomb protein SCMH1	0.0051	0.0231	0.0231
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0004	0.001
Schistosoma mansoni	hypothetical protein	0.0043	0.0116	0.0116
Brugia malayi	mbt repeat family protein	0.0051	0.0231	0.0399
Brugia malayi	RNA binding protein	0.0324	0.4171	0.7202
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1624	0.2805
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0063	0.0398	0.0398
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0231	0.0399
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0004	0.0007
Trypanosoma cruzi	trypanothione reductase, putative	0.0053	0.0257	0.0629
Echinococcus multilocularis	integrin alpha ps	0.004	0.0068	0.0068
Brugia malayi	Bromodomain containing protein	0.008	0.0648	0.1119
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0318	0.4093	1
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0045	0.0142	0.0346
Echinococcus multilocularis	integrin alpha ps	0.0083	0.0691	0.0691
Schistosoma mansoni	hypothetical protein	0.0047	0.0173	0.0173
Echinococcus granulosus	integrin alpha 3	0.0142	0.154	0.154
Schistosoma mansoni	thyroid hormone receptor	0.0132	0.1401	0.1401
Mycobacterium ulcerans	hypothetical protein	0.0168	0.1917	1
Loa Loa (eye worm)	MBCTL1	0.0058	0.0333	0.0575
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0004	0.0007
Echinococcus granulosus	histone lysine methyltransferase setb	0.0098	0.0912	0.0912
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0148	0.1638	0.2829
Plasmodium vivax	thioredoxin reductase, putative	0.0053	0.0257	0.6424
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0094	0.0856	0.0856
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0098	0.0912	0.0912
Brugia malayi	mbt repeat family protein	0.0051	0.0231	0.0399
Schistosoma mansoni	hypothetical protein	0.0122	0.1259	0.1259
Echinococcus multilocularis	survival motor neuron protein 1	0.0249	0.3095	0.3095
Entamoeba histolytica	hypothetical protein	0.0072	0.0533	1
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0058	0.0333	0.0333
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0053	0.0257	0.0257
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0134	0.1428	1
Brugia malayi	beta-lactamase family protein	0.0035	0.0004	0.0007
Loa Loa (eye worm)	hypothetical protein	0.004	0.0068	0.0118
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0058	0.0333	0.0333
Schistosoma mansoni	tar DNA-binding protein	0.0324	0.4171	0.4171
Entamoeba histolytica	hypothetical protein	0.0072	0.0533	1
Schistosoma mansoni	tar DNA-binding protein	0.0324	0.4171	0.4171
Brugia malayi	RNA recognition motif domain containing protein	0.0324	0.4171	0.7202
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0094	0.0856	0.0856
Brugia malayi	Integrin alpha pat-2 precursor	0.0185	0.2162	0.3734
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0094	0.0856	0.0856
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0132	0.1401	0.1401
Schistosoma mansoni	sex comb on midleg homolog	0.0051	0.0231	0.0231
Echinococcus granulosus	zinc finger protein	0.0041	0.0084	0.0084
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0055	0.0283	0.0691
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0004	0.0006
Toxoplasma gondii	thioredoxin reductase	0.0053	0.0257	0.6424
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0004	0.0004
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0058	0.0333	0.0333
Loa Loa (eye worm)	bromodomain containing protein	0.0037	0.0027	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0779	0.1345
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.014	0.1513	0.2612
Onchocerca volvulus		0.0496	0.6661	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0063	0.0398	0.0398
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0004	0.0006
Onchocerca volvulus		0.0063	0.0398	0.0598
Echinococcus multilocularis	integrin alpha ps	0.0083	0.0691	0.0691
Schistosoma mansoni	hypothetical protein	0.0047	0.0173	0.0173
Schistosoma mansoni	microtubule-associated protein tau	0.0727	1	1
Onchocerca volvulus		0.0035	0.0004	0.0006
Leishmania major	trypanothione reductase	0.0053	0.0257	0.0629
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0075	0.0577	0.0577
Giardia lamblia	Hypothetical protein	0.0035	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0324	0.4171	0.4171
Brugia malayi	Thioredoxin reductase	0.0053	0.0257	0.0444
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0004	0.001
Schistosoma mansoni	hypothetical protein	0.0051	0.0229	0.0229
Schistosoma mansoni	hypothetical protein	0.0047	0.0173	0.0173
Echinococcus granulosus	integrin alpha ps	0.0083	0.0691	0.0691
Entamoeba histolytica	hypothetical protein	0.0072	0.0533	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0094	0.0856	0.1477
Schistosoma mansoni	zinc finger protein	0.0041	0.0084	0.0084
Schistosoma mansoni	thyroid hormone receptor	0.0132	0.1401	0.1401
Echinococcus multilocularis	microtubule associated protein 2	0.0727	1	1
Brugia malayi	Latrophilin receptor protein 2	0.0047	0.0173	0.0299
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0318	0.4093	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0053	0.0257	0.0257
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0094	0.0856	0.1477
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0036	0.0009	0.0009
Schistosoma mansoni	transcription factor LCR-F1	0.0072	0.0533	0.0533
Schistosoma mansoni	tar DNA-binding protein	0.0324	0.4171	0.4171
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0036	0.0009	0.0009
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0045	0.0142	0.0346
Brugia malayi	Bromodomain containing protein	0.0156	0.1753	0.3027
Loa Loa (eye worm)	mbt repeat family protein	0.0051	0.0231	0.0399
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0318	0.4093	1
Loa Loa (eye worm)	hypothetical protein	0.0249	0.3095	0.5344
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0047	0.0173	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0004	0.0007
Mycobacterium tuberculosis	Probable oxidoreductase	0.0134	0.1428	0.5191
Onchocerca volvulus		0.0051	0.0229	0.0344
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0004	0.0007
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0004	0.0004
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0036	0.0009	0.0009
Onchocerca volvulus		0.0035	0.0004	0.0006
Echinococcus multilocularis	tar DNA binding protein	0.0324	0.4171	0.4171
Giardia lamblia	G2/mitotic-specific cyclin B	0.0035	0	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0004	0.0004
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.012	0.1234	0.4484
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0004	0.0007
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0045	0.0142	0.0346
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0324	0.4171	0.7202
Brugia malayi	MH2 domain containing protein	0.0238	0.2927	0.5054
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0072	0.0533	0.0533
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.012	0.1234	0.4484
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0722	0.1246
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1638	0.2829
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0122	0.1259	0.1259
Echinococcus granulosus	SAM and MBT domain containing protein	0.0051	0.0231	0.0231
Echinococcus granulosus	histone acetyltransferase MYST2	0.0058	0.0333	0.0333
Loa Loa (eye worm)	PHD-finger family protein	0.0043	0.0116	0.0201
Schistosoma mansoni	hypothetical protein	0.0101	0.096	0.096
Brugia malayi	hypothetical protein	0.0072	0.0533	0.092
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0098	0.0912	0.0912
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0063	0.0398	1
Schistosoma mansoni	tar DNA-binding protein	0.0324	0.4171	0.4171
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0047	0.0174	0.0174
Schistosoma mansoni	sex comb on midleg homolog	0.0051	0.0231	0.0231
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0134	0.1428	0.5191
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0967	0.1669
Plasmodium falciparum	glutathione reductase	0.0053	0.0257	1
Onchocerca volvulus		0.0051	0.0231	0.0347
Schistosoma mansoni	hypothetical protein	0.004	0.0068	0.0068
Schistosoma mansoni	integrin alpha-ps	0.0083	0.0691	0.0691
Echinococcus granulosus	survival motor neuron protein 1	0.0249	0.3095	0.3095
Echinococcus granulosus	polycomb protein SCMH1	0.0051	0.0231	0.0231
Schistosoma mansoni	hypothetical protein	0.0047	0.0173	0.0173
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0036	0.0009	0.0009
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0004	0.001
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0051	0.0231	0.0347
Echinococcus multilocularis	GPCR, family 2	0.0047	0.0173	0.0173
Schistosoma mansoni	bromodomain containing protein	0.0132	0.14	0.14
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0225	0.2746	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0047	0.0173	0.0299
Loa Loa (eye worm)	hypothetical protein	0.0101	0.096	0.1658
Brugia malayi	glutathione reductase	0.0053	0.0257	0.0444
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0004	0.0006
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0004	0.0004
Echinococcus multilocularis	integrin alpha 3	0.0142	0.154	0.154
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0098	0.0912	0.0912
Loa Loa (eye worm)	TAR-binding protein	0.0324	0.4171	0.7202
Brugia malayi	Pre-SET motif family protein	0.0063	0.0398	0.0688
Giardia lamblia	Cyclin A	0.0035	0	0.5
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.006	0.0365	0.0365
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0148	0.1638	0.2829
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0047	0.0173	0.0173
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0436	0.5791	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0004	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0173	0.0299
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0063	0.0398	0.0398
Leishmania major	hypothetical protein, conserved	0.0035	0.0004	0.001

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.0083 uM	In vitro inhibition of FITC-labeled fibrinogen binding to alphaIIb-beta3 receptor of human platelets	ChEMBL.	15482918
IC50 (functional)	= 0.27 uM	In vitro inhibition of human platelet aggregation in suspension	ChEMBL.	15482918
IC50 (functional)	= 0.86 uM	In vitro inhibition of human platelet aggregation in platelet rich plasma	ChEMBL.	15482918
Ki (binding)	= 0.0042 uM	In vitro binding affinity for FITC-labeled fibrinogen binding to alphaIIb-beta3 receptor of human platelets	ChEMBL.	15482918

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: 411519

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 324312