Detailed information for compound 1461753

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 651.702 | Formula: C34H54INO3
  • H donors: 2 H acceptors: 3 LogP: 9.64 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCN(C(=O)CCCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@@H]2[C@@H]1[C@@H]1C[C@H]([C@@H]([C@]1(CC2)C)O)I)C
  • InChi: 1S/C34H54INO3/c1-4-5-20-36(3)31(38)15-13-11-9-7-6-8-10-12-14-24-21-25-22-26(37)16-17-27(25)28-18-19-34(2)29(32(24)28)23-30(35)33(34)39/h16-17,22,24,28-30,32-33,37,39H,4-15,18-21,23H2,1-3H3/t24-,28-,29+,30-,32-,33+,34+/m1/s1
  • InChiKey: RVINDJSSZOSLHM-FTAPQOLWSA-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
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0 0.0001
Trypanosoma brucei ceramide phosphorylethanolamine synthase 0.0053 0.039 0.0771
Schistosoma mansoni cathepsin D (A01 family) 0.0144 0.1327 0.6086
Plasmodium falciparum multidrug resistance protein 2 0.0029 0.0138 0.1736
Echinococcus granulosus ATP binding cassette sub family B 0.0029 0.0138 0.0631
Entamoeba histolytica hypothetical protein 0.0053 0.039 0.0266
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0092 0.0791 0.3629
Schistosoma mansoni multidrug resistance protein 0.0029 0.0138 0.0631
Schistosoma mansoni multidrug resistance protein 0.0028 0.0127 0.0584
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0092 0.0791 1
Loa Loa (eye worm) hypothetical protein 0.0121 0.1083 0.4967
Entamoeba histolytica hypothetical protein 0.0053 0.039 0.0266
Plasmodium falciparum plasmepsin I 0.0049 0.0344 0.4349
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0121 0.1083 0.4967
Entamoeba histolytica ATP-binding cassette protein, putative 0.0029 0.0138 0.0011
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0092 0.0791 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0096 0.1207
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0092 0.0791 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0092 0.0791 1
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0053 0.039 0.3958
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.0092 0.0791 0.3629
Plasmodium falciparum ABC transporter B family member 5, putative 0.0029 0.0138 0.1736
Entamoeba histolytica P-glycoprotein-2 0.0092 0.0791 0.0673
Loa Loa (eye worm) ABC transporter 0.0029 0.0138 0.0631
Plasmodium falciparum sphingomyelin synthase 2, putative 0.0053 0.039 0.4928
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0092 0.0791 1
Schistosoma mansoni multidrug resistance protein 0.0092 0.0791 0.3629
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0 0.0001
Entamoeba histolytica ATP-binding cassette protein, putative 0.0029 0.0138 0.0011
Trichomonas vaginalis ABC transporter, putative 0.0092 0.0791 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0115 0.1024 0.4695
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0053 0.039 0.3958
Brugia malayi ABC transporter family protein 0.0029 0.0138 0.0631
Loa Loa (eye worm) hypothetical protein 0.0053 0.039 0.1789
Trichomonas vaginalis abcb9, putative 0.0092 0.0791 1
Echinococcus multilocularis multidrug resistance protein 1 0.0092 0.0791 0.3629
Loa Loa (eye worm) multidrug resistance protein 3 0.0092 0.0791 0.3629
Plasmodium vivax ABC transporter B family member 5, putative 0.0029 0.0138 0.1736
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0092 0.0791 0.3629
Plasmodium vivax ABC transporter B family member 6, putative 0.0029 0.0138 0.1736
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0092 0.0791 0.3629
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0061 0.0471 0.2159
Trypanosoma cruzi ABC transporter, mitochondrial, putative 0.0029 0.0138 0.0272
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0092 0.0791 0.3629
Echinococcus granulosus multidrug resistance protein 1 0.0064 0.0504 0.2312
Trypanosoma cruzi ABC transporter of the mitochondrion, putative 0.0029 0.0138 0.0272
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0092 0.0791 1
Entamoeba histolytica hypothetical protein 0.0053 0.039 0.0266
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.1051 0.4822
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0029 0.0138 0.0631
Trichomonas vaginalis hypothetical protein 0.0053 0.039 0.3958
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0029 0.0138 0.1736
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0029 0.0138 0.5
Plasmodium falciparum multidrug resistance protein 1 0.0092 0.0791 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0092 0.0791 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0127 0.0584
Toxoplasma gondii aspartyl protease ASP1 0.0049 0.0344 0.4349
Leishmania major ABC-thiol transporter 0.0029 0.0138 0.0272
Loa Loa (eye worm) hypothetical protein 0.0053 0.039 0.1789
Brugia malayi P-glycoprotein-like protein 0.0029 0.0138 0.0631
Brugia malayi hypothetical protein 0.0016 0.0005 0.0023
Echinococcus granulosus ATP binding cassette sub family B 0.0028 0.0127 0.0584
Brugia malayi isocitrate dehydrogenase 0.0016 0 0.0001
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0096 0.0189
Giardia lamblia Multidrug resistance-associated protein 1 0.0029 0.0138 1
Trypanosoma brucei ABC transporter, mitochondrial, putative 0.0029 0.0138 0.0272
Entamoeba histolytica P-glycoprotein-5 0.0092 0.0791 0.0673
Schistosoma mansoni smdr1 0.0029 0.0138 0.0631
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0029 0.0138 0.1736
Loa Loa (eye worm) hypothetical protein 0.0053 0.039 0.1789
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0227 0.2181 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.039 0.1789
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 1 0.0053 0.039 0.1789
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0092 0.0791 1
Entamoeba histolytica multidrug resistance protein, putative 0.0029 0.0138 0.0011
Echinococcus granulosus multidrug resistance protein 1 0.0092 0.0791 0.3629
Loa Loa (eye worm) hypothetical protein 0.0049 0.0346 0.1586
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0227 0.2181 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0 0.0001
Plasmodium vivax multidrug resistance protein 2, putative 0.0029 0.0138 0.1736
Schistosoma mansoni multidrug resistance protein 0.0092 0.0791 0.3629
Trichomonas vaginalis ABC transporter, putative 0.0092 0.0791 1
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.039 0.3958
Brugia malayi Isocitrate dehydrogenase 0.0016 0 0.0001
Loa Loa (eye worm) hypothetical protein 0.0053 0.039 0.1789
Echinococcus granulosus p2X purinoceptor 4 0.0151 0.1396 0.6403
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0029 0.0138 0.1736
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0 0.0001
Schistosoma mansoni multidrug resistance protein 0.0029 0.0138 0.0631
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0029 0.0138 0.5
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0029 0.0138 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0115 0.1024 0.4695
Plasmodium vivax aspartyl proteinase, putative 0.0049 0.0344 0.4349
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0053 0.039 0.3958
Plasmodium vivax ABC transporter B family member 4, putative 0.0029 0.0138 0.1736
Mycobacterium tuberculosis Probable drugs-transport transmembrane ATP-binding protein ABC transporter 0.0029 0.0138 0.1736
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0506 0.5054 1
Brugia malayi hypothetical protein 0.0029 0.0138 0.0631
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0092 0.0791 1
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0029 0.0138 0.0272
Echinococcus multilocularis 0.0029 0.0138 0.0631
Brugia malayi ABC transporter family protein 0.0092 0.0791 0.3629
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0029 0.0138 0.5
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0029 0.0138 0.0631
Schistosoma mansoni protein tyrosine phosphatase n11 (shp2) 0.0115 0.1024 0.4695
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0 0.0001
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0029 0.0138 0.1736
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0092 0.0791 0.3629
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.1051 0.4822
Onchocerca volvulus 0.0092 0.0791 0.5
Plasmodium falciparum multidrug resistance-associated protein 1 0.0029 0.0138 0.1736
Plasmodium falciparum ABC transporter B family member 7, putative 0.0029 0.0138 0.1736
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 3 0.0053 0.039 0.1789
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0049 0.0344 0.3268
Plasmodium falciparum plasmepsin IV 0.0049 0.0344 0.4349
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0053 0.039 0.1789
Echinococcus granulosus multidrug resistance associated protein 7 0.0029 0.0138 0.0631
Echinococcus multilocularis ATP binding cassette sub family B 0.0029 0.0138 0.0631
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0029 0.0138 0.5
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0092 0.0791 0.3629
Echinococcus granulosus multidrug resistance protein 1 0.0092 0.0791 0.3629
Schistosoma mansoni P2X receptor subunit 0.0151 0.1396 0.6403
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0227 0.2181 1
Toxoplasma gondii ABC transporter, putative 0.0029 0.0138 0.1736
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.0092 0.0791 1
Leishmania major ATP-binding cassette protein subfamily C, member 8, putative 0.0029 0.0138 0.0272
Plasmodium vivax multidrug resistance protein 1, putative 0.0092 0.0791 1
Plasmodium falciparum ABC transporter B family member 4, putative 0.0029 0.0138 0.1736
Leishmania major p-glycoprotein 0.0092 0.0791 0.1565
Trichomonas vaginalis taga, putative 0.0092 0.0791 1
Leishmania major ATP-binding cassette protein subfamily B, member 3, putative 0.0029 0.0138 0.0272
Plasmodium falciparum ABC transporter B family member 6, putative 0.0029 0.0138 0.1736
Schistosoma mansoni peptidylglycine monooxygenase 0.0121 0.1083 0.4967
Entamoeba histolytica P-glycoprotein 6, putative 0.0029 0.0138 0.0011
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0029 0.0138 0.0272
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0092 0.0791 1
Toxoplasma gondii ATP-binding cassette sub-family B member 5 0.0029 0.0138 0.1736
Brugia malayi multidrug resistance related protein 1 0.0029 0.0138 0.0631
Plasmodium vivax sphingomyelin synthase 1, putative 0.0053 0.039 0.4928
Trypanosoma brucei ABC transporter of the mitochondrion, putative 0.0029 0.0138 0.0272
Leishmania major phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0506 0.5054 1
Echinococcus multilocularis p2X purinoceptor 4 0.0151 0.1396 0.6403
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0092 0.0791 1
Leishmania major ATP-binding cassette protein subfamily B, member 1, putative 0.0029 0.0138 0.0272
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0092 0.0791 1
Entamoeba histolytica P-glycoprotein-2, putative 0.0092 0.0791 0.0673
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0115 0.1024 0.4695
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0091 0.0781 0.3582
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0029 0.0138 0.1736
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.0092 0.0791 0.3629
Schistosoma mansoni multidrug resistance protein 0.0029 0.0138 0.0631
Trypanosoma brucei inositol phosphorylceramide synthase 0.0053 0.039 0.0771
Brugia malayi hypothetical protein 0.0025 0.0096 0.0439
Entamoeba histolytica ATP-binding cassette protein, putative 0.0029 0.0138 0.0011
Schistosoma mansoni multidrug resistance protein 0.0029 0.0138 0.0631
Giardia lamblia MRP-like ABC transporter 0.0029 0.0138 1
Mycobacterium tuberculosis Iron-regulated transporter IrtA 0.0029 0.0138 0.1736
Entamoeba histolytica P-glycoprotein-1 0.0092 0.0791 0.0673
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.0092 0.0791 0.1565
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0092 0.0791 0.3629
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0092 0.0791 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0064 0.0504 0.5674
Schistosoma mansoni hypothetical protein 0.0034 0.0186 0.0852
Echinococcus multilocularis p2X purinoceptor 4 0.0151 0.1396 0.6403
Echinococcus granulosus ATP binding cassette sub family B 0.0029 0.0138 0.0631
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 1 0.0053 0.039 0.1789
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0186 0.0852
Entamoeba histolytica ABC transporter, putative 0.0029 0.0138 0.0011
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0049 0.0344 0.1579
Loa Loa (eye worm) hypothetical protein 0.0034 0.0186 0.0852
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0092 0.0791 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0092 0.0791 1
Brugia malayi ABC transporter transmembrane region family protein 0.0029 0.0138 0.0631
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0115 0.1024 0.4695
Leishmania major hypothetical protein, conserved 0.0025 0.0096 0.0189
Brugia malayi ABC transporter 0.0029 0.0138 0.0631
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0029 0.0138 0.5
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0115 0.1024 0.4695
Echinococcus multilocularis sphingomyelin synthase protein 1 0.0053 0.039 0.1789
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0029 0.0138 0.5
Plasmodium vivax multidrug resistance-associated protein 2, putative 0.0029 0.0138 0.1736
Echinococcus multilocularis ATP binding cassette sub family B 0.0029 0.0138 0.0631
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.0092 0.0791 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0091 0.0781 0.3582
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0096 0.0189
Brugia malayi ABC transporter transmembrane region family protein 0.0028 0.0127 0.0584
Leishmania major p-glycoprotein e 0.0029 0.0138 0.0272
Schistosoma mansoni smdr2 0.0092 0.0791 0.3629
Echinococcus multilocularis ATP binding cassette sub family B 0.0029 0.0138 0.0631
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0053 0.039 0.1789
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0049 0.0344 0.4349
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0096 0.1207
Echinococcus granulosus multidrug resistance associated protein 1 0.0029 0.0138 0.0631
Echinococcus multilocularis multidrug resistance associated protein 1 0.0029 0.0138 0.0631
Schistosoma mansoni P2X receptor subunit 0.0151 0.1396 0.6403
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0029 0.0138 0.0631
Schistosoma mansoni cathepsin D (A01 family) 0.0144 0.1327 0.6086
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0029 0.0138 0.0272
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0029 0.0138 0.1736
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0506 0.5054 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0092 0.0791 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0029 0.0138 0.0156
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0092 0.0791 1
Leishmania major pentamidine resistance protein 1 0.0029 0.0138 0.0272
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0049 0.0344 0.1579
Brugia malayi multidrug resistance protein 3 0.0092 0.0791 0.3629
Echinococcus granulosus p2X purinoceptor 4 0.0151 0.1396 0.6403
Loa Loa (eye worm) ABC transporter 0.0029 0.0138 0.0631
Brugia malayi ABC transporter transmembrane region family protein 0.0029 0.0138 0.0631
Echinococcus multilocularis ATP binding cassette sub family B 0.0029 0.0138 0.0631
Toxoplasma gondii hypothetical protein 0.0053 0.039 0.4928
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0092 0.0791 1
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0227 0.2181 1
Echinococcus multilocularis multidrug resistance associated protein 7 0.0029 0.0138 0.0631
Plasmodium falciparum plasmepsin VI 0.0049 0.0344 0.4349
Loa Loa (eye worm) hypothetical protein 0.0025 0.0096 0.0439
Loa Loa (eye worm) hypothetical protein 0.0029 0.0138 0.0631
Plasmodium falciparum multidrug resistance-associated protein 2 0.0029 0.0138 0.1736
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0 0.0001
Trichomonas vaginalis ABC transporter, putative 0.0092 0.0791 1
Echinococcus granulosus p2X purinoceptor 4 0.0151 0.1396 0.6403
Schistosoma mansoni dopamine-beta-monooxygenase 0.0121 0.1083 0.4967
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0053 0.039 0.3958
Giardia lamblia ABC transporter, putative 0.0029 0.0138 1
Loa Loa (eye worm) ABC transporter 0.0029 0.0138 0.0631
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0346 0.1586
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0346 0.1586
Loa Loa (eye worm) hypothetical protein 0.0028 0.0127 0.0584
Echinococcus granulosus multidrug resistance protein 1 0.0064 0.0504 0.2312
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0092 0.0791 1
Plasmodium falciparum plasmepsin II 0.0049 0.0344 0.4349
Entamoeba histolytica hypothetical protein 0.0053 0.039 0.0266
Loa Loa (eye worm) hypothetical protein 0.0053 0.039 0.1789
Plasmodium vivax sphingomyelin synthase 2, putative 0.0053 0.039 0.4928
Entamoeba histolytica hypothetical membrane-spanning protein 0.0053 0.039 0.0266
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0029 0.0138 0.0272
Schistosoma mansoni multidrug resistance protein 0.0029 0.0138 0.0631
Loa Loa (eye worm) hypothetical protein 0.0091 0.0781 0.3582
Loa Loa (eye worm) hypothetical protein 0.0092 0.0791 0.3629
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0029 0.0138 0.0272
Entamoeba histolytica hypothetical protein 0.0053 0.039 0.0266
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0506 0.5054 1
Entamoeba histolytica P-glycoprotein-2 0.0092 0.0791 0.0673
Entamoeba histolytica hypothetical protein 0.0029 0.0138 0.0011
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0029 0.0138 0.5
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0059 0.0452 0.2074
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0096 0.0189
Trichomonas vaginalis ABC transporter, putative 0.0092 0.0791 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0029 0.0138 0.5
Loa Loa (eye worm) hypothetical protein 0.0092 0.0791 0.3629
Toxoplasma gondii ABC transporter family protein 0.0029 0.0138 0.1736
Schistosoma mansoni P2X receptor subunit 0.0151 0.1396 0.6403
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0053 0.039 0.4928
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0346 0.1586
Echinococcus granulosus multidrug resistance protein 1 0.0092 0.0791 0.3629
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0115 0.1024 0.4695
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0092 0.0791 1
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0029 0.0138 0.0272
Echinococcus multilocularis p2X purinoceptor 4 0.0151 0.1396 0.6403
Trypanosoma brucei multidrug resistance protein E 0.0029 0.0138 0.0272
Trichomonas vaginalis abcb9, putative 0.0092 0.0791 1
Brugia malayi Sphingomyelin synthase-related 1 0.0053 0.039 0.1789
Echinococcus multilocularis multidrug resistance protein 1 0.0064 0.0504 0.2312
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.0092 0.0791 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0029 0.0138 0.0011
Plasmodium falciparum ABC transporter B family member 3, putative 0.0029 0.0138 0.1736
Plasmodium vivax plasmepsin IV, putative 0.0049 0.0344 0.4349
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0029 0.0138 0.0272
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0096 0.1207
Trichomonas vaginalis ABC transporter, half transporter, putative 0.0092 0.0791 1
Echinococcus granulosus sphingomyelin synthase protein 1 0.0053 0.039 0.1789
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0053 0.039 0.4928
Trypanosoma cruzi multidrug resistance protein E, putative 0.0029 0.0138 0.0272
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0506 0.5054 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0 0.0001
Loa Loa (eye worm) hypothetical protein 0.0227 0.2181 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0092 0.0791 1
Trypanosoma brucei p-glycoprotein 0.0029 0.0138 0.0272
Giardia lamblia Multidrug resistance-associated protein 1 0.0029 0.0138 1
Plasmodium vivax ABC transporter B family member 7, putative 0.0029 0.0138 0.1736
Schistosoma mansoni P2X receptor subunit 0.0151 0.1396 0.6403
Trichomonas vaginalis abcb9, putative 0.0092 0.0791 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0029 0.0138 0.0272
Loa Loa (eye worm) hypothetical protein 0.0029 0.0138 0.0631
Brugia malayi ABC transporter family protein 0.0029 0.0138 0.0631
Loa Loa (eye worm) hypothetical protein 0.0049 0.0344 0.1579
Entamoeba histolytica P-glyco protein 6, putative 0.0092 0.0791 0.0673
Echinococcus multilocularis multidrug resistance protein 1 0.0092 0.0791 0.3629
Schistosoma mansoni multidrug resistance protein 0.0092 0.0791 0.3629
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0049 0.0344 0.1579
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.0092 0.0791 0.3629
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0049 0.0344 0.1579
Plasmodium vivax ABC transporter B family member 3, putative 0.0029 0.0138 0.1736
Entamoeba histolytica P-glycoprotein 6, putative 0.0029 0.0138 0.0011
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.0028 0.0127 0.0584
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0 0.0001
Entamoeba histolytica P-glycoprotein 5, putative 0.0092 0.0791 0.0673
Brugia malayi ABC transporter family protein 0.0029 0.0138 0.0631
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.0029 0.0138 0.1736
Brugia malayi ABC transporter 0.0028 0.0127 0.0584
Loa Loa (eye worm) hypothetical protein 0.0029 0.0138 0.0631
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0096 0.1207
Schistosoma mansoni spingomyelin synthetase-related 0.0053 0.039 0.1789
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.0092 0.0791 0.5
Brugia malayi MH2 domain containing protein 0.0118 0.1051 0.4822

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 63 % Inhibition of estradiol-induced uterine weight gain in ovariectomized BALB/c mice at 3 ug dose twice daily ChEMBL. 2033587
Inhibition (functional) = 89 % Inhibition of estradiol-induced uterine weight gain in ovariectomized BALB/c mice at 20 ug dose twice daily ChEMBL. 2033587

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

Bibliographic References

1 literature reference was collected for this gene.

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