Detailed information for compound 44273

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 603.488 | Formula: C25H27BrN6O5S
  • H donors: 2 H acceptors: 5 LogP: 2.97 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOC(=O)C(n1c(=O)n2n(c1=O)CC=CC2C(=O)NCc1ccc(nc1C)N)CSc1ccc(cc1)Br
  • InChi: 1S/C25H27BrN6O5S/c1-3-37-23(34)20(14-38-18-9-7-17(26)8-10-18)31-24(35)30-12-4-5-19(32(30)25(31)36)22(33)28-13-16-6-11-21(27)29-15(16)2/h4-11,19-20H,3,12-14H2,1-2H3,(H2,27,29)(H,28,33)
  • InChiKey: FDJMGMDATQTKPB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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) 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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0042 0.0082 0.0082
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0046 0.0098 0.0098
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0028 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0544 0.206 0.206
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0008 0.0008
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.0028 0.0028
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0028 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.1146 0.4434 0.4434
Onchocerca volvulus 0.0209 0.074 0.074
Loa Loa (eye worm) hypothetical protein 0.0028 0.0028 0.0028
Schistosoma mansoni sodium-dependent amino acid transporter 0.0042 0.0082 0.0082
Brugia malayi Calcium binding EGF domain containing protein 0.0544 0.206 0.206
Echinococcus granulosus protein jagged 2 0.0544 0.206 0.206
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0041 0.0079 0.0163
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0121 0.0392 0.0392
Onchocerca volvulus 0.0042 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.2558 1 1
Schistosoma mansoni notch 0.0544 0.2061 0.2061
Schistosoma mansoni cytochrome-c oxidase 0.0046 0.0098 0.0098
Brugia malayi Nuclear hormone receptor-like 1 0.0028 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0544 0.206 0.206
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0028 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.054 0.2047 0.2047
Toxoplasma gondii hypothetical protein 0.0042 0.0082 0.0397
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0072 0.02 0.2761
Onchocerca volvulus Peroxidasin homolog 0.2558 1 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0129 0.0424 0.0424
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0042 0.0082 0.0082
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0028 0.0028 0.0028
Onchocerca volvulus Bile acid receptor homolog 0.0028 0.0028 0.0028
Echinococcus granulosus carbonic anhydrase 0.054 0.2047 0.2047
Schistosoma mansoni hypothetical protein 0.0173 0.06 0.06
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0042 0.0082 0.0397
Schistosoma mansoni lipoxygenase 0.0121 0.0392 0.0392
Echinococcus multilocularis slit 2 protein 0.0544 0.206 0.206
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0041 0.0079 0.0079
Brugia malayi EGF-like domain containing protein 0.0544 0.206 0.206
Onchocerca volvulus 0.0042 0.0082 0.0082
Brugia malayi GCC2 and GCC3 family protein 0.0544 0.206 0.206
Brugia malayi EGF-like domain containing protein 0.0544 0.206 0.206
Loa Loa (eye worm) hypothetical protein 0.0544 0.206 0.206
Trichomonas vaginalis AGC family protein kinase 0.0294 0.1074 0.1626
Schistosoma mansoni hypothetical protein 0.0544 0.206 0.206
Loa Loa (eye worm) hypothetical protein 0.2558 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0082 0.0082
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0042 0.0082 0.0082
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0223 0.0794 0.0794
Schistosoma mansoni carbonic anhydrase-related 0.054 0.2047 0.2047
Loa Loa (eye worm) serotonin transporter b 0.0248 0.0892 0.0892
Plasmodium vivax sulfate transporter, putative 0.0033 0.0047 0.1414
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0042 0.0082 0.0082
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0042 0.0082 0.0397
Onchocerca volvulus 0.0544 0.206 0.206
Echinococcus multilocularis carbonic anhydrase 0.054 0.2047 0.2047
Schistosoma mansoni hypothetical protein 0.0544 0.206 0.206
Schistosoma mansoni carbonic anhydrase 0.1249 0.4839 0.4839
Onchocerca volvulus 0.0069 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.2558 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0053 0.0125 0.0125
Brugia malayi Cytochrome P450 family protein 0.0053 0.0125 0.0125
Loa Loa (eye worm) hypothetical protein 0.054 0.2047 0.2047
Loa Loa (eye worm) hypothetical protein 0.0041 0.0079 0.0079
Brugia malayi Cytochrome P450 family protein 0.0023 0.0008 0.0008
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0033 0.0047 0.023
Loa Loa (eye worm) hypothetical protein 0.2558 1 1
Toxoplasma gondii transporter, cation channel family protein 0.0041 0.0079 0.0381
Mycobacterium leprae PROBABLE TRANSFERASE 0.0069 0.0189 0.0341
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0028 0.0028 0.0028
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1118 0.4325 1
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0132 0.0435 0.0435
Loa Loa (eye worm) hypothetical protein 0.0544 0.206 0.206
Brugia malayi Animal haem peroxidase family protein 0.2558 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0028 0.0028 0.0028
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.054 0.2047 0.2047
Onchocerca volvulus Putative cubilin 0.0544 0.206 0.206
Loa Loa (eye worm) notch protein 0.0544 0.206 0.206
Schistosoma mansoni nuclear hormone receptor 0.0028 0.0028 0.0028
Echinococcus multilocularis thyroid hormone receptor alpha 0.0157 0.0536 0.0536
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0028 0.0028 0.0028
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0294 0.1074 0.1074
Loa Loa (eye worm) hypothetical protein 0.0544 0.206 0.206
Loa Loa (eye worm) hypothetical protein 0.0042 0.0082 0.0082
Schistosoma mansoni hypothetical protein 0.054 0.2047 0.2047
Schistosoma mansoni notch 0.0544 0.206 0.206
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0028 0.0028 0.0028
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0033 0.0047 0.007
Echinococcus granulosus carbonic anhydrase 0.054 0.2047 0.2047
Loa Loa (eye worm) hypothetical protein 0.0028 0.0028 0.0028
Schistosoma mansoni hypothetical protein 0.0544 0.206 0.206
Schistosoma mansoni thyroid hormone receptor 0.0157 0.0536 0.0536
Schistosoma mansoni carbonic anhydrase-related 0.054 0.2047 0.2047
Echinococcus multilocularis neurogenic locus notch protein 4 0.0544 0.206 0.206
Mycobacterium ulcerans carbonic anhydrase 0.1249 0.4839 0.859
Brugia malayi nuclear hormone receptor 0.0028 0.0028 0.0028
Schistosoma mansoni peroxidasin 0.2558 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0028 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0544 0.206 0.206
Echinococcus multilocularis neurogenic locus protein delta 0.0544 0.206 0.206
Echinococcus multilocularis fibropellin Ia 0.0544 0.206 0.206
Echinococcus granulosus neural cadherin 0.0544 0.206 0.206
Echinococcus granulosus delta-like protein 1 0.0544 0.206 0.206
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0028 0.0028 0.0028
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0041 0.0079 0.0079
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0082 0.2438
Schistosoma mansoni notch 0.0544 0.206 0.206
Loa Loa (eye worm) hypothetical protein 0.0248 0.0892 0.0892
Toxoplasma gondii hypothetical protein 0.054 0.2047 0.9935
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0028 0.0028 0.0028
Mycobacterium ulcerans carbonic anhydrase 0.145 0.5632 1
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0544 0.206 0.206
Mycobacterium ulcerans epoxide hydrolase EphA 0.0167 0.0576 0.1009
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0132 0.0435 0.1006
Loa Loa (eye worm) calcium channel 0.0041 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.0042 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.2558 1 1
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0075 0.0213 0.0213
Loa Loa (eye worm) hypothetical protein 0.2558 1 1
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0046 0.0098 0.0098
Plasmodium vivax cytochrome c oxidase subunit 2, putative 0.0046 0.0098 0.2916
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0042 0.0082 0.0082
Echinococcus multilocularis fat cadherin tumor suppressor 0.0544 0.206 0.206
Plasmodium vivax amine transporter, putative 0.0042 0.0082 0.2438
Leishmania major carbonic anhydrase-like protein 0.1118 0.4325 0.8938
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0028 0.0028 0.0028
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1118 0.4325 0.4325
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0041 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.0042 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.0041 0.0079 0.0079
Schistosoma mansoni slit 0.0544 0.206 0.206
Brugia malayi EGF-like domain containing protein 0.0544 0.206 0.206
Loa Loa (eye worm) hypothetical protein 0.2558 1 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0042 0.0082 0.0082
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0132 0.0435 0.1006
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1118 0.4325 0.4325
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1118 0.4325 0.4325
Echinococcus multilocularis serotonin transporter 0.0248 0.0892 0.0892
Brugia malayi Protein kinase domain containing protein 0.0294 0.1074 0.1074
Brugia malayi EGF-like domain containing protein 0.0544 0.206 0.206
Loa Loa (eye worm) hypothetical protein 0.0544 0.206 0.206
Brugia malayi EGF-like domain containing protein 0.0544 0.206 0.206
Echinococcus multilocularis ecdysone induced protein 78C 0.0028 0.0028 0.0028
Loa Loa (eye worm) cytochrome P450 family protein 0.0023 0.0008 0.0008
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0028 0.0028 0.0028
Plasmodium falciparum amino acid transporter, putative 0.0042 0.0082 0.0399
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0046 0.0098 0.0098
Echinococcus granulosus nuclear factor of activated T cells 5 0.0075 0.0213 0.0213
Echinococcus granulosus fibropellin Ia 0.0544 0.206 0.206
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0042 0.0082 0.0082
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0121 0.0392 0.0392
Schistosoma mansoni cytochrome c oxidase subunit II 0.0125 0.0408 0.0408
Schistosoma mansoni hypothetical protein 0.0544 0.206 0.206
Loa Loa (eye worm) CYP4Cod1 0.0023 0.0008 0.0008
Brugia malayi Delta serrate ligand family protein 0.0544 0.206 0.206
Loa Loa (eye worm) hypothetical protein 0.0028 0.0028 0.0028
Trichomonas vaginalis AGC family protein kinase 0.0294 0.1074 0.1626
Onchocerca volvulus Putative sulfate transporter 0.0209 0.074 0.074
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0028 0.0028 0.0028
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0294 0.1074 0.1074
Loa Loa (eye worm) Notch2 0.0544 0.206 0.206
Onchocerca volvulus Protein ultraspiracle homolog 0.0028 0.0028 0.0028
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0042 0.0082 1
Brugia malayi EGF-like domain containing protein 0.0544 0.206 0.206
Schistosoma mansoni sodium/chloride dependent transporter 0.0045 0.0095 0.0095
Echinococcus granulosus dynactin 5 p25 0.0072 0.02 0.02
Onchocerca volvulus 0.0544 0.206 0.206
Schistosoma mansoni carbonic anhydrase 0.054 0.2047 0.2047
Loa Loa (eye worm) hypothetical protein 0.0544 0.206 0.206
Loa Loa (eye worm) cytochrome oxidase subunit 2 0.0028 0.0025 0.0025
Schistosoma mansoni sodium/chloride dependent transporter 0.0042 0.0082 0.0082
Onchocerca volvulus Cytochrome c oxidase subunit 2 homolog 0.0046 0.0098 0.0098
Echinococcus granulosus mitogen activated protein kinase 11 0.0132 0.0435 0.0435
Entamoeba histolytica protein kinase, putative 0.0294 0.1074 0.2091
Trichomonas vaginalis conserved hypothetical protein 0.145 0.5632 1
Loa Loa (eye worm) hypothetical protein 0.0544 0.206 0.206
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0028 0.0028 0.0028
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0028 0.0028 0.0028
Mycobacterium leprae Probable transmembrane transport protein 0.0241 0.0868 0.1751
Brugia malayi nuclear receptor NHR-88 0.0028 0.0028 0.0028
Brugia malayi steroid hormone receptor 0.0028 0.0028 0.0028
Schistosoma mansoni carbonic anhydrase-related 0.054 0.2047 0.2047
Echinococcus multilocularis protein jagged 2 0.0544 0.206 0.206
Brugia malayi hypothetical protein 0.0042 0.0082 0.0082
Brugia malayi EGF-like domain containing protein 0.0544 0.206 0.206
Entamoeba histolytica carbonic anhydrase, putative 0.1249 0.4839 1
Echinococcus granulosus FTZ F1 alpha 0.0028 0.0028 0.0028
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0041 0.0079 0.0079
Echinococcus multilocularis neurogenic locus notch protein 0.0544 0.206 0.206
Echinococcus multilocularis sodium and chloride dependent glycine 0.0042 0.0082 0.0082
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0042 0.0082 0.0082
Onchocerca volvulus 0.2558 1 1
Mycobacterium ulcerans integral membrane transporter 0.0033 0.0047 0.007
Brugia malayi Calcium binding EGF domain containing protein 0.0544 0.206 0.206
Echinococcus multilocularis neural cadherin 0.0544 0.206 0.206
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0696 0.2658 0.6855
Brugia malayi Animal haem peroxidase family protein 0.2558 1 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0248 0.0892 0.0892
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0033 0.0047 0.0091
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0028 0.0028 0.0028
Giardia lamblia High cysteine protein 0.0544 0.206 0.5
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1118 0.4325 0.4325
Loa Loa (eye worm) hypothetical protein 0.0028 0.0028 0.0028
Echinococcus granulosus geminin 0.0173 0.06 0.06
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0996 0.3842 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0028 0.0028 0.0028
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0028 0.0028 0.0028
Brugia malayi Calcium binding EGF domain containing protein 0.0544 0.206 0.206
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0028 0.0028 0.0028
Schistosoma mansoni lipoxygenase 0.0084 0.0249 0.0249
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0008 0.0019
Onchocerca volvulus Peroxidase homolog 0.2558 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0079 0.0182
Toxoplasma gondii cytochrome C oxidase subunit IIb, putative 0.0046 0.0098 0.0475
Entamoeba histolytica acetyltransferase, putative 0.0072 0.02 0.0254
Echinococcus multilocularis voltage dependent calcium channel 0.0041 0.0079 0.0079
Echinococcus multilocularis neurogenic locus protein delta 0.0544 0.206 0.206
Echinococcus multilocularis FTZ F1 alpha 0.0028 0.0028 0.0028
Onchocerca volvulus 0.0248 0.0892 0.0892
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0042 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.2558 1 1
Leishmania major carbonic anhydrase family protein, putative 0.1249 0.4839 1
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0106 0.0335 1
Loa Loa (eye worm) hypothetical protein 0.0544 0.206 0.206
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0028 0.0028 0.0028
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0028 0.0028 0.0028
Brugia malayi Peroxidasin 0.2558 1 1
Leishmania major cytochrome p450-like protein 0.0023 0.0008 0.0017
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0544 0.206 0.206
Echinococcus granulosus serotonin transporter 0.0248 0.0892 0.0892
Echinococcus multilocularis mitogen activated protein kinase 14 0.0132 0.0435 0.0435
Mycobacterium ulcerans transmembrane cytochrome C oxidase (subunit II) CtaC 0.0046 0.0098 0.0159
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0248 0.0892 0.0892
Schistosoma mansoni septate junction protein 0.0544 0.206 0.206
Onchocerca volvulus 0.0028 0.0028 0.0028
Onchocerca volvulus 0.0544 0.206 0.206
Echinococcus multilocularis carbonic anhydrase II 0.1118 0.4325 0.4325
Schistosoma mansoni sodium/chloride dependent transporter 0.0248 0.0892 0.0892
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.0972 0.3747 0.3747
Loa Loa (eye worm) solute carrier family 6 member 4 0.0248 0.0892 0.0892
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0041 0.0079 0.0079
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1249 0.4839 1
Brugia malayi Cadherin domain containing protein 0.0544 0.206 0.206
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0028 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.2558 1 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.054 0.2047 0.2047
Loa Loa (eye worm) norepinephrine transporter 0.0248 0.0892 0.0892
Loa Loa (eye worm) hypothetical protein 0.0544 0.206 0.206
Loa Loa (eye worm) hypothetical protein 0.2558 1 1
Onchocerca volvulus 0.2558 1 1
Plasmodium falciparum transporter, putative 0.0042 0.0082 0.0399
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0132 0.0435 0.0989
Loa Loa (eye worm) hypothetical protein 0.0544 0.206 0.206
Echinococcus granulosus cytochrome c oxidase subunit II 0.0152 0.0517 0.0517
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0294 0.1074 0.1074
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0042 0.0082 0.0082
Onchocerca volvulus 0.0544 0.206 0.206
Mycobacterium tuberculosis Probable transmembrane cytochrome C oxidase (subunit II) CtaC 0.0046 0.0098 0.005
Echinococcus granulosus protein jagged 2 0.0544 0.206 0.206
Onchocerca volvulus 0.2558 1 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1118 0.4325 1
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0041 0.0079 0.0079
Loa Loa (eye worm) carbonic anhydrase 3 0.1118 0.4325 0.4325
Loa Loa (eye worm) steroid hormone receptor 0.0028 0.0028 0.0028
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0028 0.0028 0.0028
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0079 0.0182
Echinococcus granulosus slit 2 protein 0.0544 0.206 0.206
Loa Loa (eye worm) hypothetical protein 0.0028 0.0028 0.0028
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.054 0.2047 0.2047
Onchocerca volvulus Peroxidasin homolog 0.2558 1 1
Trypanosoma brucei carbonic anhydrase-like protein 0.1118 0.4325 1
Loa Loa (eye worm) animal heme peroxidase 0.2558 1 1
Schistosoma mansoni notch 0.0544 0.206 0.206
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0042 0.0082 0.0082
Echinococcus multilocularis peroxidasin 0.2558 1 1
Brugia malayi P38 map kinase family protein 2 0.0132 0.0435 0.0435
Echinococcus multilocularis geminin 0.0173 0.06 0.06
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0072 0.02 0.2761
Schistosoma mansoni coup transcription factor 0.0028 0.0028 0.0028
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0042 0.0082 0.0082
Echinococcus granulosus peroxidasin 0.2558 1 1
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0041 0.0079 0.0079
Toxoplasma gondii EGF family domain-containing protein 0.0544 0.206 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0247 0.0889 0.0889
Loa Loa (eye worm) hypothetical protein 0.2558 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0079 0.0163
Brugia malayi Cytochrome P450 family protein 0.0023 0.0008 0.0008
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0042 0.0082 0.0397
Loa Loa (eye worm) animal heme peroxidase 0.2558 1 1
Echinococcus granulosus voltage dependent calcium channel 0.0041 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.0042 0.0082 0.0082
Echinococcus granulosus voltage dependent calcium channel 0.0041 0.0079 0.0079
Schistosoma mansoni hypothetical protein 0.0129 0.0424 0.0424
Loa Loa (eye worm) voltage-dependent calcium channel 0.0041 0.0079 0.0079
Brugia malayi Steroid receptor seven-up type 2 0.0028 0.0028 0.0028
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0041 0.0079 0.0079
Schistosoma mansoni notch 0.0544 0.206 0.206
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0028 0.0028 0.0028
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0072 0.02 0.0322
Trypanosoma cruzi cytochrome P450, putative 0.0023 0.0008 0.0019
Onchocerca volvulus Dual oxidase homolog 0.2558 1 1
Onchocerca volvulus Slit protein homolog 0.0544 0.206 0.206
Brugia malayi photoreceptor-specific nuclear receptor 0.0028 0.0028 0.0028
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0042 0.0082 0.0082
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0028 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0544 0.206 0.206
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0294 0.1074 0.1074
Loa Loa (eye worm) hypothetical protein 0.2558 1 1
Brugia malayi notch-like transmembrane receptor 0.0544 0.206 0.206
Loa Loa (eye worm) hypothetical protein 0.0028 0.0028 0.0028
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0042 0.0082 0.0082
Echinococcus granulosus notch 0.0544 0.206 0.206
Entamoeba histolytica ankyrin, putative 0.0072 0.02 0.0255
Loa Loa (eye worm) hypothetical protein 0.0544 0.206 0.206
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.054 0.2047 0.2047
Plasmodium falciparum cytochrome c oxidase subunit 2, putative 0.0046 0.0098 0.0478
Echinococcus granulosus sodium and chloride dependent glycine 0.0042 0.0082 0.0082
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0028 0.0028 0.0028
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0042 0.0082 0.0082
Plasmodium falciparum carbonic anhydrase 0.054 0.2047 1
Loa Loa (eye worm) hypothetical protein 0.0544 0.206 0.206
Loa Loa (eye worm) hypothetical protein 0.0544 0.206 0.206
Loa Loa (eye worm) hypothetical protein 0.0544 0.206 0.206
Loa Loa (eye worm) hypothetical protein 0.0028 0.0028 0.0028
Echinococcus granulosus neurogenic locus notch protein 0.0544 0.206 0.206
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0041 0.0079 0.0182
Schistosoma mansoni peroxidasin 0.2558 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0028 0.0028 0.0028
Toxoplasma gondii hypothetical protein 0.0036 0.0059 0.0286
Loa Loa (eye worm) hypothetical protein 0.0544 0.206 0.206
Schistosoma mansoni notch 0.0544 0.206 0.206
Onchocerca volvulus 0.0046 0.0098 0.0098
Echinococcus multilocularis voltage dependent calcium channel 0.0041 0.0079 0.0079
Onchocerca volvulus 0.0042 0.0082 0.0082
Brugia malayi Animal haem peroxidase family protein 0.2558 1 1
Echinococcus granulosus neurogenic locus notch protein 4 0.0544 0.206 0.206
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.0028 0.0028
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0028 0.0028 0.0028
Schistosoma mansoni laminin gamma-3 chain 0.0544 0.206 0.206
Onchocerca volvulus Peroxidase homolog 0.2558 1 1
Schistosoma mansoni hypothetical protein 0.0544 0.206 0.206
Brugia malayi follicle stimulating hormone receptor 0.0247 0.0889 0.0889
Brugia malayi Blistered cuticle protein 3 0.2558 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0028 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0248 0.0892 0.0892
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0042 0.0082 0.0082
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0241 0.0868 0.2097
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0041 0.0079 0.0079
Echinococcus granulosus ecdysone induced protein 78C 0.0028 0.0028 0.0028
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0028 0.0028 0.0028
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0795 0.3049 0.7893
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0028 0.0028 0.0028
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0028 0.0028 0.0028
Mycobacterium ulcerans hypothetical protein 0.0041 0.0079 0.0125
Toxoplasma gondii MAPEG family protein 0.0223 0.0794 0.3854
Onchocerca volvulus Neurogenic locus notch homolog 0.0544 0.2061 0.2061
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0129 0.0424 0.0424
Brugia malayi Muscle positioning protein 4 0.0544 0.206 0.206
Loa Loa (eye worm) blistered cuticle protein 3 0.2558 1 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0042 0.0082 0.0082
Mycobacterium ulcerans transferase 0.0069 0.0189 0.0321
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0028 0.0028 0.0028
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0033 0.0047 0.011
Leishmania major hypothetical protein, conserved 0.0041 0.0079 0.0163
Echinococcus granulosus protein jagged 1 0.0544 0.206 0.206
Echinococcus granulosus sodium and chloride dependent glycine 0.0042 0.0082 0.0082
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0028 0.0028 0.0028
Echinococcus granulosus microsomal glutathione S transferase 3 0.0223 0.0794 0.0794
Trichomonas vaginalis AGC family protein kinase 0.0294 0.1074 0.1626
Toxoplasma gondii hypothetical protein 0.0042 0.0082 0.0397
Loa Loa (eye worm) hypothetical protein 0.0544 0.206 0.206
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0167 0.0576 0.132
Loa Loa (eye worm) hypothetical protein 0.0042 0.0082 0.0082
Schistosoma mansoni hypothetical protein 0.0544 0.206 0.206
Schistosoma mansoni hypothetical protein 0.0544 0.206 0.206
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0028 0.0028 0.0028
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0544 0.206 0.206
Echinococcus multilocularis protein jagged 1 0.0544 0.206 0.206
Echinococcus granulosus neurogenic locus protein delta 0.0544 0.206 0.206
Echinococcus granulosus protein jagged 1 0.0544 0.206 0.206
Loa Loa (eye worm) animal heme peroxidase 0.2558 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0028 0.0028 0.0028
Treponema pallidum sodium- and chloride- dependent transporter 0.0248 0.0892 0.5
Mycobacterium ulcerans transmembrane carbonic anhydrase, SulP 0.0033 0.0047 0.007
Echinococcus multilocularis carbonic anhydrase 0.054 0.2047 0.2047
Schistosoma mansoni microsomal glutathione s-transferase 0.0223 0.0794 0.0794
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0028 0.0028 0.0028
Brugia malayi phosphoinositide-dependent protein kinase I 0.0294 0.1074 0.1074
Loa Loa (eye worm) hypothetical protein 0.0544 0.206 0.206
Echinococcus granulosus neurogenic locus notch protein 0.0544 0.206 0.206
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0042 0.0082 0.0082
Echinococcus multilocularis neurogenic locus notch protein 0.0544 0.206 0.206
Onchocerca volvulus Chorion peroxidase homolog 0.2558 1 1
Echinococcus granulosus mitogen activated protein kinase 14 0.0132 0.0435 0.0435
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0042 0.0082 0.0082
Brugia malayi ecdysteroid receptor 0.0028 0.0028 0.0028
Brugia malayi Animal haem peroxidase family protein 0.2558 1 1
Schistosoma mansoni hypothetical protein 0.0173 0.06 0.06
Brugia malayi Animal haem peroxidase family protein 0.2558 1 1
Echinococcus granulosus carbonic anhydrase II 0.1118 0.4325 0.4325
Brugia malayi Cadherin domain containing protein 0.0544 0.206 0.206
Onchocerca volvulus 0.0544 0.206 0.206
Schistosoma mansoni voltage-gated cation channel 0.0041 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.2558 1 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0042 0.0082 0.0082
Echinococcus multilocularis notch 0.0544 0.206 0.206
Echinococcus multilocularis carbonic anhydrase 0.054 0.2047 0.2047
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0028 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0028 0.0028 0.0028
Trichomonas vaginalis conserved hypothetical protein 0.145 0.5632 1
Schistosoma mansoni cell polarity protein 0.0544 0.206 0.206
Loa Loa (eye worm) hypothetical protein 0.0248 0.0892 0.0892
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0033 0.0047 0.011
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0042 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.2558 1 1
Loa Loa (eye worm) hypothetical protein 0.0544 0.206 0.206
Loa Loa (eye worm) hypothetical protein 0.0036 0.0059 0.0059
Schistosoma mansoni thyroid hormone receptor 0.0157 0.0536 0.0536
Echinococcus multilocularis mitogen activated protein kinase 11 0.0132 0.0435 0.0435
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0132 0.0435 0.0899
Schistosoma mansoni retinoic acid receptor RXR 0.0028 0.0028 0.0028
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0042 0.0082 0.0082
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0028 0.0028 0.0028
Echinococcus granulosus carbonic anhydrase 0.054 0.2047 0.2047
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1118 0.4325 0.4325
Schistosoma mansoni serine/threonine protein kinase 0.0294 0.1074 0.1074
Echinococcus multilocularis protein jagged 1 0.0544 0.206 0.206
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0041 0.0079 0.0079
Echinococcus multilocularis mitogen activated protein kinase 14 0.0132 0.0435 0.0435
Loa Loa (eye worm) animal heme peroxidase 0.2558 1 1
Wolbachia endosymbiont of Brugia malayi cytochrome c oxidase, subunit 2 0.0152 0.0517 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.054 0.2047 0.2047
Loa Loa (eye worm) hypothetical protein 0.0036 0.0059 0.0059
Echinococcus multilocularis mitogen activated protein kinase 11 0.0132 0.0435 0.0435
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0033 0.0047 0.0232
Loa Loa (eye worm) hypothetical protein 0.0544 0.206 0.206
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0042 0.0082 0.0082
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.054 0.2047 0.2047

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.27 nM Inhibitory activity of the compound against human thrombin ChEMBL. 12668009
Ki (binding) = 0.27 nM Inhibitory activity of the compound against human thrombin ChEMBL. 12668009

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.
 
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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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