Detailed information for compound 1746078

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 730.769 | Formula: C32H46N10O10
  • H donors: 11 H acceptors: 10 LogP: -4.97 Rotable bonds: 25
    Rule of 5 violations (Lipinski): 3
  • SMILES: OC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)CC(=O)O)CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C
  • InChi: 1S/C32H46N10O10/c1-42-11-5-9-24(42)30(50)41-23(16-43)29(49)39-20(8-4-10-35-32(33)34)27(47)37-15-25(44)38-21(13-26(45)46)28(48)40-22(31(51)52)12-17-14-36-19-7-3-2-6-18(17)19/h2-3,6-7,14,20-24,36,43H,4-5,8-13,15-16H2,1H3,(H,37,47)(H,38,44)(H,39,49)(H,40,48)(H,41,50)(H,45,46)(H,51,52)(H4,33,34,35)/t20-,21-,22-,23-,24-/m0/s1
  • InChiKey: KQVGKMTVZYPBNI-LSBAASHUSA-N  


Substructure search Similarity search

Network

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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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni cathepsin D (A01 family) 0.0141 0.0359 0.0359
Plasmodium vivax aspartyl proteinase, putative 0.0141 0.0359 0.1187
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.002 0.0175
Plasmodium falciparum transporter, putative 0.0226 0.0604 0.2015
Trichomonas vaginalis glucosylceramidase, putative 0.02 0.053 0.4689
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0226 0.0604 0.1601
Echinococcus granulosus Ankyrin 0.0017 0.0005 0.0012
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0009 0.0017
Schistosoma mansoni hypothetical protein 0.0018 0.0009 0.0009
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.105 0.2962 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0123 0.0326
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0009 0.0024
Brugia malayi Sodium:neurotransmitter symporter family protein 0.1334 0.3774 1
Plasmodium vivax hypothetical protein, conserved 0.0226 0.0604 0.2015
Plasmodium vivax SET domain protein, putative 0.0036 0.0059 0.017
Schistosoma mansoni voltage-gated potassium channel 0.0054 0.0112 0.0112
Brugia malayi aspartic protease BmAsp-1, identical 0.0141 0.0359 0.0953
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0306 0.083 0.2201
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.005 0.01 0.0265
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0059 0.0059
Plasmodium falciparum plasmepsin I 0.0141 0.0359 0.1187
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.105 0.2962 1
Plasmodium falciparum plasmepsin IV 0.0141 0.0359 0.1187
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0051 0.0102 0.0332
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0226 0.0604 0.1601
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.105 0.2962 0.785
Loa Loa (eye worm) hypothetical protein 0.1334 0.3774 1
Loa Loa (eye worm) hypothetical protein 0.0226 0.0604 0.1601
Echinococcus multilocularis jun protein 0.0098 0.0238 0.063
Schistosoma mansoni sodium-dependent amino acid transporter 0.0226 0.0604 0.0604
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0131 0.033 0.033
Loa Loa (eye worm) hypothetical protein 0.0017 0.0004 0.0011
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0098 0.0238 0.063
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.1334 0.3774 0.3774
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0141 0.0359 0.0953
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0123 0.0326
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0009 0.0024
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0141 0.0359 0.0359
Mycobacterium ulcerans ion transport protein 0.0091 0.0216 0.0716
Loa Loa (eye worm) hypothetical protein 0.0096 0.023 0.0609
Loa Loa (eye worm) hypothetical protein 0.0141 0.0359 0.0953
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.002 0.0053
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0226 0.0604 0.2029
Schistosoma mansoni ap endonuclease 0.0022 0.002 0.002
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0226 0.0604 0.0604
Schistosoma mansoni sodium/chloride dependent transporter 0.0226 0.0604 0.0604
Brugia malayi cytochrome P450 0.0017 0.0004 0.0011
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0019 0.0011 0.003
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.041 0.113 0.2994
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0141 0.0359 0.0359
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0141 0.0359 0.0359
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.041 0.113 0.2994
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0141 0.0359 0.0953
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.041 0.113 1
Onchocerca volvulus Glucosylceramidase homolog 0.02 0.053 0.1394
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0059 0.0187
Schistosoma mansoni cpg binding protein 0.0034 0.0053 0.0053
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0226 0.0604 0.1601
Schistosoma mansoni hypothetical protein 0.0017 0.0004 0.0004
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.002 0.0052
Onchocerca volvulus 0.0141 0.0359 0.0942
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0009 0.0024
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0226 0.0604 0.2029
Echinococcus granulosus sodium and chloride dependent glycine 0.0226 0.0604 0.1601
Trichomonas vaginalis glucosylceramidase, putative 0.02 0.053 0.4689
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0027 0.0034 0.01
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0131 0.033 0.0873
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0009 0.0017
Trichomonas vaginalis glucosylceramidase, putative 0.02 0.053 0.4689
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.041 0.113 0.2994
Brugia malayi bZIP transcription factor family protein 0.0098 0.0238 0.063
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0009 0.0024
Brugia malayi Pre-SET motif family protein 0.0036 0.0059 0.0157
Schistosoma mansoni ap endonuclease 0.0022 0.002 0.002
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0086 0.0203 0.0538
Brugia malayi Cytochrome P450 family protein 0.0027 0.0034 0.0089
Schistosoma mansoni dihydroorotate dehydrogenase 0.105 0.2962 0.2962
Onchocerca volvulus 0.0077 0.0177 0.0458
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0017 0.0004 0.0011
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0041 0.0124
Loa Loa (eye worm) hypothetical protein 0.0045 0.0084 0.0222
Trypanosoma cruzi cytochrome P450, putative 0.0027 0.0034 0.01
Echinococcus multilocularis serotonin transporter 0.1334 0.3774 1
Trichomonas vaginalis glucosylceramidase, putative 0.02 0.053 0.4689
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.105 0.2962 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0009 0.0024
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0041 0.0124
Trichomonas vaginalis glucosylceramidase, putative 0.0211 0.0561 0.4962
Schistosoma mansoni hypothetical protein 0.0018 0.0009 0.0009
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0073 0.0166 0.0166
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0009 0.0024
Schistosoma mansoni cathepsin D (A01 family) 0.0141 0.0359 0.0359
Brugia malayi aspartic protease BmAsp-2, identical 0.0141 0.0359 0.0953
Echinococcus granulosus voltage gated potassium channel 0.0019 0.0011 0.003
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0041 0.0107
Brugia malayi CXXC zinc finger family protein 0.0034 0.0053 0.0141
Schistosoma mansoni hypothetical protein 0.004 0.007 0.007
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0019 0.0011 0.003
Schistosoma mansoni ankyrin 23/unc44 0.0017 0.0004 0.0004
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0141 0.0359 0.0359
Trichomonas vaginalis glucosylceramidase, putative 0.0211 0.0561 0.4962
Loa Loa (eye worm) hypothetical protein 0.0141 0.0359 0.0953
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.041 0.113 1
Schistosoma mansoni voltage-gated potassium channel 0.0019 0.0011 0.0011
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.105 0.2962 0.785
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0051 0.0102 0.0271
Plasmodium falciparum plasmepsin V 0.0141 0.0359 0.1187
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0226 0.0604 0.1601
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.002 0.0175
Brugia malayi Eukaryotic aspartyl protease family protein 0.0141 0.0359 0.0953
Brugia malayi hypothetical protein 0.003 0.0041 0.0108
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.105 0.2962 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0226 0.0604 0.1601
Schistosoma mansoni jun-related protein 0.008 0.0185 0.0185
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0141 0.0359 0.0359
Brugia malayi Death domain containing protein 0.0017 0.0004 0.0011
Brugia malayi hypothetical protein 0.0042 0.0077 0.0203
Trichomonas vaginalis glucosylceramidase, putative 0.0306 0.083 0.7349
Plasmodium vivax plasmepsin IV, putative 0.0141 0.0359 0.1187
Plasmodium falciparum plasmepsin VII 0.0141 0.0359 0.1187
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0009 0.0017
Toxoplasma gondii exonuclease III APE 0.0022 0.002 0.0053
Trichomonas vaginalis set domain proteins, putative 0.0281 0.076 0.6728
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.105 0.2962 1
Onchocerca volvulus 0.1334 0.3774 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0226 0.0604 0.1601
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0077 0.0203
Brugia malayi hypothetical protein 0.0077 0.0177 0.0469
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0226 0.0604 0.1601
Treponema pallidum sodium- and chloride- dependent transporter 0.1334 0.3774 1
Loa Loa (eye worm) hypothetical protein 0.0226 0.0604 0.1601
Brugia malayi Protein kinase domain containing protein 0.0017 0.0004 0.0011
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0041 0.0107
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0141 0.0359 0.0359
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0306 0.083 0.2201
Loa Loa (eye worm) cytochrome P450 family protein 0.0039 0.0069 0.0182
Schistosoma mansoni cytochrome P450 0.0017 0.0004 0.0004
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.002 0.0036
Onchocerca volvulus 0.0141 0.0359 0.0942
Trichomonas vaginalis glucosylceramidase, putative 0.0306 0.083 0.7349
Schistosoma mansoni hypothetical protein 0.0042 0.0077 0.0077
Echinococcus multilocularis 0.0017 0.0004 0.0011
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0141 0.0359 0.1202
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.002 0.0053
Plasmodium falciparum dihydroorotate dehydrogenase 0.105 0.2962 1
Brugia malayi Cytochrome P450 family protein 0.0027 0.0034 0.0089
Loa Loa (eye worm) hypothetical protein 0.0017 0.0005 0.0012
Plasmodium falciparum plasmepsin X 0.0141 0.0359 0.1187
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.041 0.113 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0009 0.0017
Trichomonas vaginalis glucosylceramidase, putative 0.0306 0.083 0.7349
Brugia malayi Uncoordinated protein 44 0.0017 0.0004 0.0011
Loa Loa (eye worm) hypothetical protein 0.004 0.007 0.0186
Loa Loa (eye worm) solute carrier family 6 member 4 0.1334 0.3774 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.0053 0.0142
Schistosoma mansoni hypothetical protein 0.0018 0.0009 0.0009
Onchocerca volvulus 0.0226 0.0604 0.1591
Loa Loa (eye worm) CYP4Cod1 0.0027 0.0034 0.0089
Echinococcus multilocularis sodium and chloride dependent glycine 0.0226 0.0604 0.1601
Echinococcus multilocularis sodium and chloride dependent glycine 0.0226 0.0604 0.1601
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.002 0.0052
Schistosoma mansoni hypothetical protein 0.0399 0.1098 0.1098
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0226 0.0604 0.0604
Toxoplasma gondii aspartyl protease ASP3 0.0141 0.0359 0.1202
Loa Loa (eye worm) cytochrome P450 0.0017 0.0004 0.0011
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0226 0.0604 0.1601
Onchocerca volvulus 0.0226 0.0604 0.1591
Echinococcus granulosus potassium voltage gated channel subfamily H 0.005 0.01 0.0265
Trypanosoma cruzi cytochrome P450, putative 0.0027 0.0034 0.01
Brugia malayi hypothetical protein 0.0141 0.0359 0.0953
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0041 0.0124
Brugia malayi Zinc finger, C2H2 type family protein 0.041 0.113 0.2994
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0226 0.0604 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0009 0.0017
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.041 0.113 0.2994
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0059 0.0059
Plasmodium falciparum plasmepsin VI 0.0141 0.0359 0.1187
Echinococcus multilocularis voltage gated potassium channel 0.0019 0.0011 0.003
Leishmania major cytochrome p450-like protein 0.0027 0.0034 0.01
Echinococcus multilocularis netrin receptor unc 5 0.0017 0.0004 0.0011
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0226 0.0604 0.0604
Loa Loa (eye worm) voltage-gated potassium channel 0.0121 0.0302 0.0801
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0098 0.0238 0.063
Brugia malayi Pepsin A precursor 0.0141 0.0359 0.0953
Toxoplasma gondii hypothetical protein 0.0226 0.0604 0.2029
Schistosoma mansoni voltage-gated potassium channel 0.0054 0.0112 0.0112
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0123 0.0326
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.041 0.113 1
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0017 0.0004 0.0011
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0034 0.0089
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0131 0.033 0.0873
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.002 0.0052
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.002 0.0053
Plasmodium vivax aspartyl proteinase, putative 0.0141 0.0359 0.1187
Brugia malayi hypothetical protein 0.0019 0.0011 0.0028
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0041 0.0107
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0226 0.0604 0.1601
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.007 0.0186
Onchocerca volvulus 0.0281 0.0761 0.2006
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.105 0.2962 1
Echinococcus granulosus sodium channel protein 0.0051 0.0102 0.0271
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0226 0.0604 0.1601
Onchocerca volvulus 0.0034 0.0053 0.013
Schistosoma mansoni hypothetical protein 0.0017 0.0004 0.0004
Brugia malayi hypothetical protein 0.0226 0.0604 0.1601
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0247 0.0663 0.1757
Plasmodium falciparum plasmepsin II 0.0141 0.0359 0.1187
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0019 0.0011 0.003
Leishmania major hypothetical protein, conserved 0.003 0.0041 0.0124
Schistosoma mansoni sodium/chloride dependent transporter 0.0226 0.0604 0.0604
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.041 0.113 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0009 0.0017
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.105 0.2962 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.002 0.0053
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0131 0.033 0.0873
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.002 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0226 0.0604 0.0604
Plasmodium vivax aspartyl protease, putative 0.0141 0.0359 0.1187
Loa Loa (eye worm) hypothetical protein 0.0141 0.0359 0.0953
Loa Loa (eye worm) norepinephrine transporter 0.1334 0.3774 1
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.105 0.2962 1
Loa Loa (eye worm) hypothetical protein 0.1334 0.3774 1
Schistosoma mansoni hypothetical protein 0.0399 0.1098 0.1098
Plasmodium falciparum plasmepsin VIII, putative 0.0141 0.0359 0.1187
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.005 0.01 0.0265
Entamoeba histolytica hypothetical protein 0.0042 0.0077 0.0513
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0009 0.0024
Brugia malayi Cytochrome P450 family protein 0.0039 0.0069 0.0182
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0141 0.0359 0.0359
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0141 0.0359 0.0359
Loa Loa (eye worm) hypothetical protein 0.003 0.0041 0.0108
Entamoeba histolytica hypothetical protein 0.0042 0.0077 0.0513
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0226 0.0604 0.0604
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0009 0.0024
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0059 0.0059
Echinococcus multilocularis sodium channel protein 0.0051 0.0102 0.0271
Trichomonas vaginalis glucosylceramidase, putative 0.02 0.053 0.4689
Toxoplasma gondii aspartyl protease 0.0141 0.0359 0.1202
Brugia malayi isocitrate dehydrogenase 0.0019 0.0009 0.0024
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0004 0.0011
Echinococcus multilocularis Ankyrin 0.0017 0.0005 0.0012
Schistosoma mansoni hypothetical protein 0.0018 0.0009 0.0009
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0226 0.0604 0.1601
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0226 0.0604 0.1601
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0226 0.0604 0.1601
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0059 0.0157
Schistosoma mansoni voltage-gated potassium channel 0.0019 0.0011 0.0011
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0141 0.0359 0.0953
Echinococcus multilocularis GPCR, family 2 0.0018 0.0009 0.0024
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0059 0.0157
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.041 0.113 1
Trichomonas vaginalis glucosylceramidase, putative 0.0306 0.083 0.7349
Echinococcus multilocularis cpg binding protein 0.0036 0.0059 0.0156
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0141 0.0359 0.0359
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0017 0.0005 0.0005
Trichomonas vaginalis glucosylceramidase, putative 0.02 0.053 0.4689
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.002 0.0052
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0009 0.0024
Loa Loa (eye worm) hypothetical protein 0.0036 0.0059 0.0157
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0009 0.0024
Plasmodium falciparum plasmepsin IX 0.0141 0.0359 0.1187
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.041 0.113 0.3806
Echinococcus granulosus nuclear factor of activated T cells 5 0.0086 0.0203 0.0538
Loa Loa (eye worm) CXXC zinc finger family protein 0.0034 0.0053 0.0141
Leishmania major dihydroorotate dehydrogenase 0.105 0.2962 1
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0009 0.0017
Plasmodium vivax amine transporter, putative 0.0226 0.0604 0.2015
Trichomonas vaginalis glucosylceramidase, putative 0.0306 0.083 0.7349
Loa Loa (eye worm) hypothetical protein 0.0226 0.0604 0.1601
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0144 0.0473
Brugia malayi hypothetical protein 0.0141 0.0359 0.0953
Entamoeba histolytica hypothetical protein 0.0042 0.0077 0.0513
Schistosoma mansoni sodium/chloride dependent transporter 0.1334 0.3774 0.3774
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0226 0.0604 0.0604
Schistosoma mansoni cpg binding protein 0.0036 0.0059 0.0059
Entamoeba histolytica hypothetical protein 0.0042 0.0077 0.0513
Loa Loa (eye worm) hypothetical protein 0.0226 0.0604 0.1601
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.041 0.113 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0226 0.0604 0.0604
Schistosoma mansoni netrin receptor unc5 0.0017 0.0004 0.0004
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0009 0.0017
Loa Loa (eye worm) hypothetical protein 0.0019 0.0011 0.003
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.105 0.2962 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0009 0.0024
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0141 0.0359 0.3182
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0226 0.0604 0.1601
Echinococcus granulosus serotonin transporter 0.1334 0.3774 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.005 0.01 0.0265
Toxoplasma gondii aspartyl protease ASP1 0.0141 0.0359 0.1202
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.002 0.0036
Plasmodium vivax aspartyl protease, putative 0.0141 0.0359 0.1187
Trypanosoma brucei cytochrome P450, putative 0.0027 0.0034 0.01
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0059 0.0157
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0017 0.0004 0.0011
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0041 0.0073 0.0644
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0009 0.0024
Echinococcus granulosus death domain containing protein 0.0017 0.0004 0.0011
Onchocerca volvulus 0.0036 0.0059 0.0146
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.105 0.2962 1
Schistosoma mansoni hypothetical protein 0.008 0.0185 0.0185
Echinococcus granulosus GPCR family 2 0.0018 0.0009 0.0024
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0009 0.0009
Plasmodium vivax plasmepsin V, putative 0.0141 0.0359 0.1187
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0009 0.0024
Loa Loa (eye worm) hypothetical protein 0.0058 0.0123 0.0326
Loa Loa (eye worm) hypothetical protein 0.0226 0.0604 0.1601
Echinococcus granulosus netrin receptor unc 5 0.0017 0.0004 0.0011
Loa Loa (eye worm) hypothetical protein 0.1334 0.3774 1
Plasmodium falciparum plasmepsin III 0.0141 0.0359 0.1187
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0141 0.0359 0.1202
Brugia malayi Cytochrome P450 family protein 0.0017 0.0004 0.0011
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0077 0.0203
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0024
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.002 0.0053
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.002 0.0053
Loa Loa (eye worm) serotonin transporter b 0.1334 0.3774 1
Echinococcus granulosus geminin 0.0399 0.1098 0.2909
Plasmodium falciparum amino acid transporter, putative 0.0226 0.0604 0.2015
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0226 0.0604 0.2029
Echinococcus multilocularis geminin 0.0399 0.1098 0.2909
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0226 0.0604 0.0604
Echinococcus granulosus cpg binding protein 0.0036 0.0059 0.0156
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0041 0.0124
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0059 0.0059
Trichomonas vaginalis glucosylceramidase, putative 0.0306 0.083 0.7349
Brugia malayi Pre-SET motif family protein 0.0247 0.0663 0.1757
Echinococcus granulosus jun protein 0.0098 0.0238 0.063
Loa Loa (eye worm) aspartyl protease 6 0.0141 0.0359 0.0953
Toxoplasma gondii hypothetical protein 0.0226 0.0604 0.2029
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0009 0.0024
Trichomonas vaginalis glucosylceramidase, putative 0.02 0.053 0.4689
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0034 0.0089
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0009 0.0024
Loa Loa (eye worm) hypothetical protein 0.0226 0.0604 0.1601
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0141 0.0359 0.0953
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0041 0.0073 0.0644
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0226 0.0604 0.1601
Plasmodium vivax aspartyl protease, putative 0.0141 0.0359 0.1187
Echinococcus granulosus cytochrome P450 2K1 0.0017 0.0004 0.0011
Onchocerca volvulus 0.0226 0.0604 0.1591
Schistosoma mansoni cpg binding protein 0.0036 0.0059 0.0059

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 20 uM Inhibition of collagen-induced human platelet aggregation. ChEMBL. No reference

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

Bibliographic References

No literature references available for this target.

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