TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 816.045 | Formula: C47H61N9O4
H donors: 6 H acceptors: 3 LogP: 5.7 Rotable bonds: 26
Rule of 5 violations (Lipinski): 3
SMILES: COc1ccc(cc1)C[C@@H](C(=O)N[C@H](C(=O)NCCCc1ccccc1)CCCN=C(N)N)NC(=O)Nc1ccc2c(c1)n(Cc1ccccc1C)cc2CN(CC)CC
InChi: 1S/C47H61N9O4/c1-5-55(6-2)30-37-32-56(31-36-18-11-10-14-33(36)3)43-29-38(22-25-40(37)43)52-47(59)54-42(28-35-20-23-39(60-4)24-21-35)45(58)53-41(19-13-27-51-46(48)49)44(57)50-26-12-17-34-15-8-7-9-16-34/h7-11,14-16,18,20-25,29,32,41-42H,5-6,12-13,17,19,26-28,30-31H2,1-4H3,(H,50,57)(H,53,58)(H4,48,49,51)(H2,52,54,59)/t41-,42-/m0/s1
InChiKey: PLPKNHNUXBVVII-COCZKOEFSA-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	coagulation factor II (thrombin) receptor	Starlite/ChEMBL	References

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
Schistosoma mansoni	malate dehydrogenase	0.0351	0.4266	0.4222
Leishmania major	cytochrome p450-like protein	0.0044	0.0198	0.0123
Plasmodium vivax	malate dehydrogenase, putative	0.0783	1	1
Toxoplasma gondii	lactate dehydrogenase LDH2	0.0783	1	1
Schistosoma mansoni	malate dehydrogenase	0.0344	0.4177	0.4133
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0444	0.0372
Chlamydia trachomatis	malate dehydrogenase	0.0351	0.4266	0.5
Trichomonas vaginalis	malate dehydrogenase, putative	0.0351	0.4266	1
Schistosoma mansoni	hypothetical protein	0.0044	0.0198	0.0123
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0076	0.0134
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0085	0.0746	0.1531
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0044	0.0198	0.0123
Echinococcus multilocularis		0.0044	0.0198	0.0123
Trypanosoma brucei	malate dehydrogenase-related	0.0326	0.394	0.9221
Leishmania major	malate dehydrogenase, putative	0.0783	1	1
Toxoplasma gondii	thioredoxin reductase	0.0037	0.0109	0.0034
Mycobacterium tuberculosis	Probable oxidoreductase	0.0095	0.0872	0.1835
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0044	0.0198	0.0291
Plasmodium vivax	thioredoxin reductase, putative	0.0037	0.0109	0.0034
Loa Loa (eye worm)	heterochromatin protein 1	0.0055	0.0337	0.0337
Echinococcus multilocularis	chromobox protein 1	0.0055	0.0337	0.0264
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0076	0.0134
Brugia malayi	serine/threonine-protein kinase plk-2	0.0094	0.0853	0.0836
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0351	0.4266	1
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0351	0.4266	0.4222
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.041	0.0337
Schistosoma mansoni	chromobox protein	0.0055	0.0337	0.0264
Echinococcus granulosus	chromobox protein 1	0.0055	0.0337	0.0264
Brugia malayi	Probable malate dehydrogenase, mitochondrial precursor	0.0344	0.4177	0.4166
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.041	0.0337
Leishmania major	cytochrome p450-like protein	0.0071	0.056	0.0488
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0044	0.0198	0.0212
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0044	0.0198	0.0123
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.0853	0.1964
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0094	0.0853	0.0783
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.0853	0.1964
Echinococcus multilocularis	malate dehydrogenase	0.0344	0.4177	0.4133
Trypanosoma brucei	trypanothione reductase	0.0037	0.0109	0.008
Echinococcus granulosus	malate dehydrogenase	0.0344	0.4177	0.4133
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0444	0.0372
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0351	0.4266	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0351	0.4266	1
Mycobacterium leprae	PROBABLE MALATE DEHYDROGENASE MDH	0.0351	0.4266	1
Schistosoma mansoni	L-lactate dehydrogenase	0.0783	1	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0095	0.0872	0.1658
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0094	0.0853	0.0853
Loa Loa (eye worm)	cytochrome P450 family protein	0.0104	0.0986	0.0986
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0062	0.0438	0.0365
Trypanosoma brucei	cytochrome P450, putative	0.0071	0.056	0.1155
Trichomonas vaginalis	chromobox protein, putative	0.0055	0.0337	0.075
Giardia lamblia	Malate dehydrogenase	0.0351	0.4266	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0085	0.0746	0.1531
Toxoplasma gondii	malate dehydrogenase MDH	0.0783	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.0227	0.0489
Loa Loa (eye worm)	ICD-1 protein	0.0035	0.0076	0.0076
Schistosoma mansoni	kinase	0.0048	0.0243	0.0169
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0444	0.0444
Echinococcus granulosus	geminin	0.0133	0.1375	0.1309
Leishmania major	trypanothione reductase	0.0037	0.0109	0.0034
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0044	0.0198	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0019	0.0019
Echinococcus granulosus	lactate dehydrogenase a	0.0783	1	1
Schistosoma mansoni	hypothetical protein	0.0133	0.1375	0.1309
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0351	0.4266	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0159	0.1721	0.4007
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0044	0.0198	0.0212
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0095	0.0872	0.1835
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0085	0.0746	0.1347
Brugia malayi	beta-NAC-like protein	0.0035	0.0076	0.0057
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0044	0.0198	0.0212
Brugia malayi	Cytochrome P450 family protein	0.0044	0.0198	0.0179
Brugia malayi	metabotropic glutamate receptor type 2	0.0036	0.0093	0.0074
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0085	0.0746	0.1531
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0351	0.4266	0.4222
Trypanosoma brucei	glycosomal malate dehydrogenase	0.0344	0.4177	0.9788
Leishmania major	malate dehydrogenase	0.0344	0.4177	0.4133
Trypanosoma cruzi	polo-like protein kinase, putative	0.0094	0.0853	0.1855
Echinococcus multilocularis	lactate dehydrogenase protein	0.0783	1	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0184	0.2047	0.4775
Loa Loa (eye worm)	cytochrome P450 family protein	0.0071	0.056	0.056
Echinococcus multilocularis	L lactate dehydrogenase	0.0457	0.5673	0.564
Trichomonas vaginalis	malate dehydrogenase, putative	0.0351	0.4266	1
Schistosoma mansoni	malate dehydrogenase	0.0351	0.4266	0.4222
Plasmodium vivax	lactate dehydrogenase	0.0783	1	1
Leishmania major	cytosolic malate dehydrogenase	0.0351	0.4266	0.4222
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0074	0.0598	0.058
Plasmodium falciparum	lactate dehydrogenase, putative	0.0326	0.394	0.3894
Leishmania major	glycosomal malate dehydrogenase	0.0344	0.4177	0.4133
Trypanosoma cruzi	malate dehydrogenase, putative	0.0326	0.394	0.9221
Echinococcus multilocularis	malate dehydrogenase	0.0344	0.4177	0.4133
Echinococcus multilocularis	chromobox protein 1	0.0055	0.0337	0.0264
Brugia malayi	Heterochromatin protein 1	0.0055	0.0337	0.0319
Trichomonas vaginalis	malate dehydrogenase, putative	0.0326	0.394	0.9232
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0044	0.0198	0.0212
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0094	0.0853	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.041	0.0337
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0044	0.0198	0.0212
Mycobacterium tuberculosis	Probable reductase	0.0085	0.0746	0.1531
Loa Loa (eye worm)	cytochrome P450 family protein	0.0071	0.056	0.056
Loa Loa (eye worm)	CYP4Cod1	0.0071	0.056	0.056
Trypanosoma brucei	polo-like protein kinase	0.0094	0.0853	0.1855
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0825	0.0825
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0444	0.0372
Toxoplasma gondii	lactate dehydrogenase LDH1	0.0783	1	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0094	0.0853	0.1855
Trichomonas vaginalis	malate dehydrogenase, putative	0.0351	0.4266	1
Trichomonas vaginalis	chromobox protein, putative	0.0033	0.005	0.0073
Trichomonas vaginalis	chromobox protein, putative	0.0033	0.005	0.0073
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.0853	0.1964
Echinococcus multilocularis	L lactate dehydrogenase B chain	0.0783	1	1
Brugia malayi	cytochrome P450	0.0044	0.0198	0.0179
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0044	0.0198	0.0212
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.041	0.0522
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0085	0.0746	0.1531
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0044	0.0198	0.0212
Trichomonas vaginalis	malate dehydrogenase, putative	0.0351	0.4266	1
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0351	0.4266	1
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0044	0.0198	0.0212
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0038	0.0116	0.0041
Schistosoma mansoni	metabotropic glutamate receptor	0.0062	0.0438	0.0365
Plasmodium falciparum	malate dehydrogenase	0.0783	1	1
Loa Loa (eye worm)	malate dehydrogenase	0.0344	0.4177	0.4177
Echinococcus granulosus	chromobox protein 1	0.0055	0.0337	0.0264
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0444	0.0372
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0094	0.0853	0.0783
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.041	0.0723
Echinococcus granulosus	thioredoxin glutathione reductase	0.0038	0.0116	0.0041
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0344	0.4177	0.9788
Leishmania major	mitochondrial malate dehydrogenase	0.0344	0.4177	0.4133
Entamoeba histolytica	malate dehydrogenase, putative	0.0351	0.4266	0.4222
Trichomonas vaginalis	malate dehydrogenase, putative	0.0351	0.4266	1
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0444	0.0426
Trichomonas vaginalis	malate dehydrogenase, putative	0.0351	0.4266	1
Trypanosoma cruzi	mitochondrial malate dehydrogenase, putative	0.0344	0.4177	0.9788
Trypanosoma cruzi	glycosomal malate dehydrogenase, putative	0.0344	0.4177	0.9788
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0033	0.005	0.037
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.041	0.0522
Loa Loa (eye worm)	hypothetical protein	0.0783	1	1
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0044	0.0198	0.0212
Loa Loa (eye worm)	cytochrome P450	0.0044	0.0198	0.0198
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0091	0.0825	0.0755
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0044	0.0198	0.0212
Leishmania major	malate dehydrogenase, putative	0.0326	0.394	0.3894
Schistosoma mansoni	chromobox protein	0.0055	0.0337	0.0264
Echinococcus granulosus	cytochrome P450 2K1	0.0044	0.0198	0.0123
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.041	0.0337
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0067	0.0505	0.0487
Brugia malayi	Cytochrome P450 family protein	0.0104	0.0986	0.0969
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0094	0.0853	0.0783
Echinococcus multilocularis	lactate dehydrogenase a	0.0783	1	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0444	0.0444
Brugia malayi	Malate dehydrogenase, cytoplasmic	0.0351	0.4266	0.4255
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0044	0.0198	0.0291
Schistosoma mansoni	metabotropic glutamate receptor	0.0036	0.0093	0.0017
Plasmodium falciparum	glutathione reductase	0.0037	0.0109	0.0034
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0444	0.0372
Trichomonas vaginalis	malate and lactate dehydrogenase, putative	0.0351	0.4266	1
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0044	0.0198	0.0291
Brugia malayi	Thioredoxin reductase	0.0037	0.0109	0.0091
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0044	0.0198	0.0212
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0044	0.0198	0.0212
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0084	0.0733	0.0662
Trypanosoma cruzi	malate dehydrogenase, putative	0.0344	0.4177	0.9788
Trichomonas vaginalis	chromobox protein, putative	0.0055	0.0337	0.075
Schistosoma mansoni	L-lactate dehydrogenase	0.0326	0.394	0.3894
Echinococcus granulosus	lactate dehydrogenase protein	0.0783	1	1
Echinococcus multilocularis	lactate dehydrogenase a	0.0783	1	1
Mycobacterium ulcerans	malate dehydrogenase	0.0351	0.4266	1
Echinococcus multilocularis	geminin	0.0133	0.1375	0.1309
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0062	0.0438	0.0365
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0095	0.0872	0.1835
Trypanosoma brucei	cytosolic malate dehydrogenase	0.0351	0.4266	1
Echinococcus granulosus	cytosolic malate dehydrogenase	0.0351	0.4266	0.4222
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0444	0.0372
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0044	0.0198	0.0212
Trichomonas vaginalis	malate dehydrogenase, putative	0.0351	0.4266	1
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.0853	0.1964
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0044	0.0198	0.0212
Leishmania major	cytochrome p450-like protein	0.0044	0.0198	0.0123
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.041	0.0337
Brugia malayi	RNA binding protein	0.0063	0.0444	0.0426
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0085	0.0746	0.1531
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0076	0.0134
Trypanosoma cruzi	cytosolic malate dehydrogenase, putative	0.0351	0.4266	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0444	0.0372
Echinococcus granulosus	L lactate dehydrogenase	0.0457	0.5673	0.564
Brugia malayi	Cytochrome P450 family protein	0.0071	0.056	0.0542
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0094	0.0853	0.0783
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0091	0.0825	0.0755
Echinococcus multilocularis	cytosolic malate dehydrogenase	0.0351	0.4266	0.4222
Loa Loa (eye worm)	glutathione reductase	0.0037	0.0109	0.0109
Entamoeba histolytica	malate dehydrogenase, putative	0.0783	1	1
Plasmodium falciparum	thioredoxin reductase	0.0037	0.0109	0.0034
Loa Loa (eye worm)	thioredoxin reductase	0.0037	0.0109	0.0109
Echinococcus granulosus	L lactate dehydrogenase B chain	0.0783	1	1
Trichomonas vaginalis	malate dehydrogenase, putative	0.0351	0.4266	1
Schistosoma mansoni	malate dehydrogenase	0.0783	1	1
Loa Loa (eye worm)	glutamate receptor	0.0074	0.0598	0.0598
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0044	0.0198	0.0212
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0044	0.0198	0.0212
Brugia malayi	Cytochrome P450 family protein	0.0071	0.056	0.0542
Trypanosoma cruzi	cytochrome P450, putative	0.0071	0.056	0.1155
Plasmodium vivax	lactate/malate dehydrogenase, putative	0.0326	0.394	0.3894
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0071	0.056	0.089
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.041	0.0337
Trypanosoma cruzi	trypanothione reductase, putative	0.0037	0.0109	0.008
Wolbachia endosymbiont of Brugia malayi	malate dehydrogenase	0.0783	1	0.5
Trichomonas vaginalis	malate dehydrogenase, putative	0.0351	0.4266	1
Mycobacterium tuberculosis	Probable malate dehydrogenase Mdh	0.0351	0.4266	1
Entamoeba histolytica	malate dehydrogenase,cytoplasmic, putative	0.0351	0.4266	0.4222
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0444	0.0444
Plasmodium vivax	glutathione reductase, putative	0.0037	0.0109	0.0034
Schistosoma mansoni	hypothetical protein	0.0133	0.1375	0.1309
Loa Loa (eye worm)	malate dehydrogenase	0.0351	0.4266	0.4266
Echinococcus granulosus	lactate dehydrogenase a	0.0783	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.041	0.0522
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0044	0.0198	0.0212
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.0227	0.0489
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0044	0.0198	0.0212
Brugia malayi	TAR-binding protein	0.0063	0.0444	0.0426
Trichomonas vaginalis	malate dehydrogenase, putative	0.0351	0.4266	1
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.0853	0.1964
Schistosoma mansoni	cytochrome P450	0.0044	0.0198	0.0123
Plasmodium falciparum	L-lactate dehydrogenase	0.0783	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.0853	0.1964
Schistosoma mansoni	serine/threonine protein kinase	0.0094	0.0853	0.0783
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0044	0.0198	0.0212
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0044	0.0198	0.0291
Trypanosoma brucei	mitochondrial malate dehydrogenase	0.0344	0.4177	0.9788
Brugia malayi	glutathione reductase	0.0037	0.0109	0.0091
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.0853	0.1964
Echinococcus multilocularis	lactate dehydrogenase a	0.0783	1	1
Trypanosoma cruzi	cytochrome P450, putative	0.0071	0.056	0.1155
Echinococcus granulosus	malate dehydrogenase	0.0344	0.4177	0.4133

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	uM	In vitro inhibition of human platelet aggregation induced by thromboxane mimetic U-46,619 at 0.3 uM.	ChEMBL.	11514149
IC50 (functional)	0 uM	In vitro inhibition of human platelet aggregation induced by thromboxane mimetic U-46,619 at 0.3 uM.	ChEMBL.	11514149
IC50 (functional)	= 0.23 uM	In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)	ChEMBL.	11514149
IC50 (functional)	= 0.23 uM	In vitro inhibition of human platelet aggregation induced by SFLLRN-NH2 (at a concentration of 2 uM)	ChEMBL.	11514149
IC50 (binding)	= 2.5 uM	In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of CHRF-288-11 cells	ChEMBL.	11514149
IC50 (binding)	= 2.5 uM	In vitro displacement of [3H]-S-(p-F-Phe)-homoarginine-K Y-NH2 (at a concentration of 10 microM) from thrombin receptor (PAR-1) on the membranes of CHRF-288-11 cells	ChEMBL.	11514149
IC50 (functional)	= 3 uM	In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)	ChEMBL.	11514149
IC50 (functional)	= 3 uM	In vitro inhibition of human platelet aggregation induced by alpha-thrombin (at a concentration of 0.15 nM)	ChEMBL.	11514149
IC50 (functional)	= 17 uM	In vitro inhibition of human platelet aggregation induced by 3 ug/ml collagen.	ChEMBL.	11514149
IC50 (functional)	= 17 uM	In vitro inhibition of human platelet aggregation induced by 3 ug/ml collagen.	ChEMBL.	11514149

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	11514149

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: CHEMBL62584

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 104325