Detailed information for compound 171789

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 506.673 | Formula: C32H42O5
  • H donors: 3 H acceptors: 4 LogP: 5.45 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(OC(=O)CCC/C=C\C[C@@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/C(CCc1cccc(c1)c1ccccc1)O)O)C
  • InChi: 1S/C32H42O5/c1-23(2)37-32(36)16-9-4-3-8-15-28-29(31(35)22-30(28)34)20-19-27(33)18-17-24-11-10-14-26(21-24)25-12-6-5-7-13-25/h3,5-8,10-14,19-21,23,27-31,33-35H,4,9,15-18,22H2,1-2H3/b8-3-,20-19+/t27?,28-,29-,30+,31-/m1/s1
  • InChiKey: ZCSWVJWYKUMHDU-XDFATRJBSA-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
Toxoplasma gondii acetyl-coA carboxylase ACC2 1.4802 1 1
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.0518 0.0333 0.0538
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.0046 0.0102
Echinococcus multilocularis dna polymerase eta 0.0077 0.0034 0.0031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.002 0.281
Entamoeba histolytica hypothetical protein 0.0095 0.0046 0.0253
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0077 0.0034 0.0031
Loa Loa (eye worm) glutathione reductase 0.0037 0.0007 0.0004
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.2006 0.1339 0.1337
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.0007 0.0004
Schistosoma mansoni hypothetical protein 0.0337 0.021 0.0207
Loa Loa (eye worm) hypothetical protein 0.0299 0.0185 0.0188
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.2006 0.1339 0.1338
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0119 0.0062 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.0034 0.0033
Trypanosoma cruzi acetyl-CoA carboxylase 0.9164 0.6184 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0119 0.0062 0.0061
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0033 0.0004 0.0001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0005 0.032
Schistosoma mansoni aspartate carbamoyltransferase 0.1274 0.0844 0.0842
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.2006 0.1339 0.3233
Trypanosoma brucei DNA polymerase IV, putative 0.0077 0.0034 0.0033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0011 0.1248
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.0039 0.0085
Plasmodium falciparum carbamoyl phosphate synthetase 0.1274 0.0844 0.1164
Echinococcus multilocularis geminin 0.0337 0.021 0.0207
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.0518 0.0333 0.033
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.2006 0.1339 0.3469
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.2006 0.1339 0.3469
Entamoeba histolytica hypothetical protein 0.0035 0.0006 0.0013
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.0518 0.0333 0.0332
Echinococcus granulosus geminin 0.0337 0.021 0.0207
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.5638 0.3798 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0035 0.0006 0.0009
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.2006 0.1339 0.3459
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0042 0.001 0.1157
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0011 0.0017
Mycobacterium tuberculosis Conserved hypothetical protein 0.016 0.009 0.0219
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.0034 0.0033
Loa Loa (eye worm) hypothetical protein 0.0047 0.0014 0.0011
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0004 0.0006
Trypanosoma brucei unspecified product 0.0053 0.0018 0.0017
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0043 0.0011 0.0008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0003 0.0005
Trypanosoma cruzi Eukaryotic translation initiation factor 2-alpha kinase 2 0.0068 0.0028 0.0045
Plasmodium vivax serine/threonine protein kinase, putative 0.0068 0.0028 0.0035
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0518 0.0333 0.0342
Mycobacterium tuberculosis DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase 0.0518 0.0333 0.0859
Brugia malayi hypothetical protein 0.0299 0.0185 0.0188
Loa Loa (eye worm) hypothetical protein 0.0034 0.0005 0.0002
Mycobacterium tuberculosis Biotinylated protein TB7.3 0.0518 0.0333 0.0859
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0077 0.0034 0.0032
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0083 0.0038 0.5839
Trypanosoma brucei DNA polymerase kappa, putative 0.0053 0.0018 0.0017
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.2006 0.1339 0.2166
Echinococcus granulosus Biotin lipoyl attachment 0.0518 0.0333 0.033
Leishmania major protein kinase, putative,eukaryotic translation initiation factor 2-alpha kinase precursor, putative 0.0068 0.0028 0.0025
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0028 0.4179
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.0518 0.0333 0.033
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.5638 0.3798 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.022 0.0131 0.0128
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0518 0.0333 0.033
Brugia malayi ImpB/MucB/SamB family protein 0.0077 0.0034 0.0032
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0518 0.0333 0.0538
Mycobacterium tuberculosis Probable reductase 0.0085 0.0039 0.0085
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0119 0.0062 0.01
Toxoplasma gondii hypothetical protein 0.0047 0.0014 0.0011
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0078 0.0035 0.0033
Schistosoma mansoni carbamoyl-phosphate synthetase 0.1274 0.0844 0.0842
Schistosoma mansoni hypothetical protein 0.0337 0.021 0.0207
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.5638 0.3798 0.3796
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.2006 0.1339 0.1337
Onchocerca volvulus 0.0299 0.0185 0.5
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.2006 0.1339 0.3469
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0015 0.0013
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.5638 0.3798 0.3796
Trichomonas vaginalis PIKK family atypical protein kinase 0.0049 0.0015 0.1918
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1596 0.1062 0.1059
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.0039 0.0085
Entamoeba histolytica hypothetical protein 0.0035 0.0006 0.0013
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0011 0.0017
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0119 0.0062 1
Echinococcus multilocularis expressed protein 0.0033 0.0004 0.0001
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0056 0.002 0.0097
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E2 component BkdC 0.0518 0.0333 0.0859
Mycobacterium ulcerans hypothetical protein 0.0518 0.0333 0.0794
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.0518 0.0333 0.0332
Schistosoma mansoni terminal deoxycytidyl transferase 0.0077 0.0034 0.0031
Leishmania major mitochondrial DNA polymerase beta 0.0303 0.0187 0.0184
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.0046 0.0102
Brugia malayi hypothetical protein 0.0035 0.0006 0.0003
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 1.0712 0.7232 1
Echinococcus multilocularis SUMO activating enzyme subunit 1 0.0047 0.0014 0.0011
Trichomonas vaginalis STE family protein kinase 0.0068 0.0028 0.4179
Trypanosoma cruzi Eukaryotic translation initiation factor 2-alpha kinase 2 0.0068 0.0028 0.0045
Toxoplasma gondii carbamoylphosphate synthetase 0.1274 0.0844 0.0842
Trypanosoma cruzi DNA polymerase eta, putative 0.0077 0.0034 0.0054
Trypanosoma brucei unspecified product 0.0077 0.0034 0.0033
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0032 0.0004 0.0002
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.5638 0.3798 0.3796
Leishmania major acetyl-CoA carboxylase, putative 1.4802 1 1
Giardia lamblia DINP protein human, muc B family 0.0077 0.0034 0.0186
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0518 0.0333 0.033
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0078 0.0035 0.0032
Brugia malayi ImpB/MucB/SamB family protein 0.0077 0.0034 0.0032
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0005 0.0002
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0056 0.002 0.0032
Loa Loa (eye worm) phosphatidylinositol 3 0.0035 0.0006 0.0003
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0056 0.002 0.0018
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0007 0.0011
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0518 0.0333 0.0342
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.2006 0.1339 0.2166
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.0011 0.001
Entamoeba histolytica hypothetical protein 0.0035 0.0006 0.0013
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0095 0.0046 0.0253
Entamoeba histolytica deoxycytidyl transferase, putative 0.0077 0.0034 0.0179
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0013 0.1562
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0055 0.0019 0.009
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.5638 0.3798 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.0046 0.0017
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0518 0.0333 0.033
Trypanosoma cruzi DNA polymerase kappa, putative 0.0077 0.0034 0.0054
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0042 0.001 0.0017
Loa Loa (eye worm) hypothetical protein 0.0049 0.0015 0.0013
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.0518 0.0333 0.0332
Trichomonas vaginalis DNA polymerase eta, putative 0.0077 0.0034 0.5156
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0303 0.0187 0.0302
Mycobacterium leprae Probable biotinylated protein homolog TB7.3 0.0518 0.0333 0.0781
Trypanosoma brucei DNA polymerase IV, putative 0.0077 0.0034 0.0033
Loa Loa (eye worm) hypothetical protein 0.0518 0.0333 0.0342
Trypanosoma brucei acetyl-CoA carboxylase 1.4802 1 1
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 1.0712 0.7232 1
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.5638 0.3798 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0046 0.0013 0.002
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0004 0.0107
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.0518 0.0333 0.033
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.1274 0.0844 0.1164
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0032 0.0004 0.0006
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0303 0.0187 0.0186
Leishmania major trypanothione reductase 0.0037 0.0007 0.0004
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.2006 0.1339 0.1337
Plasmodium falciparum lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex 0.0518 0.0333 0.0456
Echinococcus granulosus expressed protein 0.0033 0.0004 0.0001
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0119 0.0062 1
Leishmania major DNA polymerase eta, putative 0.0077 0.0034 0.0031
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.0034 0.0033
Trypanosoma cruzi DNA polymerase kappa, putative 0.0077 0.0034 0.0054
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.0034 0.0033
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.5638 0.3798 1
Schistosoma mansoni pyruvate carboxylase 0.5638 0.3798 0.3796
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 1.4802 1 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.0518 0.0333 0.033
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0518 0.0333 0.033
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0011 0.0017
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.5638 0.3798 0.3796
Loa Loa (eye worm) hypothetical protein 0.0077 0.0034 0.0032
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.0034 0.0033
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0143 0.0079 0.0078
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0056 0.002 0.0017
Brugia malayi MH2 domain containing protein 0.0236 0.0142 0.0144
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0077 0.0034 0.007
Mycobacterium ulcerans branched-chain alpha-keto acid dehydrogenase subunit E2 0.0518 0.0333 0.0794
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0518 0.0333 0.0538
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.0034 0.0033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0006 0.0356
Brugia malayi Carboxyl transferase domain containing protein 1.4284 0.9649 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0112 0.0057 0.032
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0005 0.032
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0518 0.0333 0.0538
Echinococcus multilocularis dna polymerase kappa 0.0077 0.0034 0.0031
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0518 0.0333 0.033
Chlamydia trachomatis biotin carboxylase 0.512 0.3447 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0077 0.0034 0.007
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0003 0.0005
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.5638 0.3798 1
Mycobacterium ulcerans dihydrolipoamide acetyltransferase 0.0518 0.0333 0.0794
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.0039 0.0085
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0042 0.001 0.1157
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0056 0.002 0.0017
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.2006 0.1339 0.1337
Plasmodium vivax glutathione reductase, putative 0.0037 0.0007 0.0006
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0011 0.1248
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.2006 0.1339 0.2905
Trypanosoma brucei DNA polymerase kappa, putative 0.0053 0.0018 0.0017
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0059 0.0022 0.0115
Loa Loa (eye worm) transcription factor SMAD2 0.0236 0.0142 0.0144
Plasmodium vivax dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative 0.0518 0.0333 0.0456
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0042 0.001 0.0009
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.5638 0.3798 0.6141
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0046 0.0013 0.001
Leishmania major carbamoyl-phosphate synthase, putative 0.1274 0.0844 0.0842
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0101 0.0051 0.0049
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.0518 0.0333 0.033
Brugia malayi ThiF family protein 0.0047 0.0014 0.0011
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.0518 0.0333 0.033
Echinococcus granulosus dna polymerase eta 0.0077 0.0034 0.0031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0011 0.1248
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.0034 0.0033
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.0518 0.0333 0.033
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.1274 0.0844 0.1365
Echinococcus multilocularis Biotin lipoyl attachment 0.0518 0.0333 0.033
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0046 0.0013 0.0012
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.2006 0.1339 0.3469
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0119 0.0062 0.0347
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0007 0.0004
Trypanosoma cruzi Eukaryotic translation initiation factor 2-alpha kinase 2 0.0068 0.0028 0.0045
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0013 0.1562
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.5638 0.3798 0.3797
Toxoplasma gondii acetyl-CoA carboxylase ACC1 1.4802 1 1
Mycobacterium ulcerans hypothetical protein 0.016 0.009 0.0149
Trypanosoma brucei DNA polymerase eta, putative 0.0077 0.0034 0.0033
Plasmodium vivax ubiquitin activating enzyme, putative 0.0047 0.0014 0.0015
Trichomonas vaginalis rotamase, putative 0.0032 0.0004 0.0017
Echinococcus granulosus SUMO activating enzyme subunit 1 0.0047 0.0014 0.0011
Toxoplasma gondii hypothetical protein 0.0049 0.0015 0.0012
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0042 0.001 0.1157
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0013 0.1562
Trypanosoma brucei DNA polymerase kappa, putative 0.0053 0.0018 0.0017
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.0046 0.0102
Trypanosoma brucei ubiquitin-activating enzyme E1, putative 0.0031 0.0003 0.0002
Plasmodium vivax lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative 0.0518 0.0333 0.0456
Loa Loa (eye worm) phosphatidylinositol 3 0.0197 0.0115 0.0116
Leishmania major propionyl-coa carboxylase beta chain, putative 0.2006 0.1339 0.1337
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0042 0.001 0.0007
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.2006 0.1339 0.3469
Brugia malayi glutathione reductase 0.0037 0.0007 0.0004
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0518 0.0333 0.0538
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0077 0.0034 0.0031
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0056 0.002 0.0032
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0011 0.1248
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.0518 0.0333 0.033
Schistosoma mansoni hypothetical protein 0.0034 0.0005 0.0002
Loa Loa (eye worm) hypothetical protein 0.0078 0.0035 0.0033
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.2006 0.1339 0.3459
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0077 0.0034 0.5156
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0011 0.1248
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0015 0.0013
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0007 0.0006
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.5638 0.3798 0.3796
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.2524 0.169 1
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.5638 0.3798 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0006 0.0003
Trypanosoma cruzi DNA polymerase kappa, putative 0.0077 0.0034 0.0054
Loa Loa (eye worm) carboxyl transferase domain-containing protein 1.4284 0.9649 1
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0518 0.0333 0.033
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0056 0.002 0.0017
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.1274 0.0844 0.1476
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.0518 0.0333 0.0332
Loa Loa (eye worm) hypothetical protein 0.0518 0.0333 0.0342
Trypanosoma brucei DNA polymerase IV, putative 0.0077 0.0034 0.0033
Toxoplasma gondii pyruvate carboxylase 0.5638 0.3798 0.3796
Toxoplasma gondii peptidylprolyl isomerase 0.0032 0.0004 0.0001
Loa Loa (eye worm) MH2 domain-containing protein 0.0236 0.0142 0.0144
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0042 0.001 0.004
Trypanosoma cruzi DNA polymerase kappa, putative 0.0077 0.0034 0.0054
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0013 0.1562
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0518 0.0333 0.033
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0518 0.0333 0.0538
Trypanosoma brucei unspecified product 0.3707 0.2491 0.249
Plasmodium falciparum dihydrolipoamide acyltransferase component E2 0.0518 0.0333 0.0456
Schistosoma mansoni carbamoyl-phosphate synthetase 0.1274 0.0844 0.0842
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.1274 0.0844 0.1365
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.2006 0.1339 0.2166
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0006 0.0003
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0015 0.0013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0013 0.1562
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.0007 0.0004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0003 0.0005
Giardia lamblia GTOR 0.0056 0.002 0.0104
Trypanosoma brucei trypanothione reductase 0.0037 0.0007 0.0006
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0056 0.002 0.0019
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0047 0.0014 0.0011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0003 0.0005
Mycobacterium ulcerans pyruvate carboxylase 0.5638 0.3798 1
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.2006 0.1339 0.1337
Mycobacterium leprae Dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase complex SucB 0.0518 0.0333 0.0781
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.002 0.281
Loa Loa (eye worm) hypothetical protein 0.0518 0.0333 0.0342
Plasmodium falciparum thioredoxin reductase 0.0037 0.0007 0.0006
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0008 0.0803
Entamoeba histolytica acetyl-coA carboxylase, putative 0.2524 0.169 1
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.1274 0.0844 0.0843
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.022 0.0131 0.0128
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0518 0.0333 0.033
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0083 0.0038 0.5839
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0077 0.0034 0.0031
Loa Loa (eye worm) hypothetical protein 0.0041 0.0009 0.0007
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0006 0.0003
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0056 0.002 0.0019
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0518 0.0333 0.0538
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0056 0.002 0.0017
Toxoplasma gondii thioredoxin reductase 0.0037 0.0007 0.0004
Plasmodium falciparum SUMO-activating enzyme subunit 1 0.0047 0.0014 0.0015
Toxoplasma gondii target of rapamycin (TOR), putative 0.0043 0.0011 0.0008
Schistosoma mansoni acetyl-CoA carboxylase 1.4802 1 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.022 0.0131 0.0128
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0033 0.0004 0.0001
Plasmodium falciparum glutathione reductase 0.0037 0.0007 0.0006
Trichomonas vaginalis PIKK family atypical protein kinase 0.0056 0.002 0.281
Brugia malayi Thioredoxin reductase 0.0037 0.0007 0.0004
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0032 0.0004 0.0001
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.2006 0.1339 0.3515
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0042 0.001 0.0008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0011 0.1248
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.2006 0.1339 0.3459
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.0039 0.0085
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0518 0.0333 0.0342
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.0034 0.0033
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0056 0.002 0.0017
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.0007 0.0671
Trypanosoma brucei unspecified product 0.0053 0.0018 0.0017
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0143 0.0079 0.0076
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.0034 0.0033
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0303 0.0187 0.0302
Entamoeba histolytica hypothetical protein 0.0035 0.0006 0.0013
Trypanosoma brucei DNA polymerase kappa, putative 0.0077 0.0034 0.0033
Leishmania major carboxylase, putative 0.5638 0.3798 0.3796
Schistosoma mansoni rotamase 0.0033 0.0004 0.0001
Trypanosoma cruzi ubiquitin-activating enzyme, putative 0.0031 0.0003 0.0005
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0078 0.0035 0.0032
Trypanosoma brucei eukaryotic translation initiation factor 2-alpha kinase 2 0.0068 0.0028 0.0027
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.2006 0.1339 0.3515
Loa Loa (eye worm) phosphatidylinositol 3 0.0056 0.002 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0006 0.0356
Schistosoma mansoni DNA polymerase eta 0.0077 0.0034 0.0031
Plasmodium falciparum dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex 0.0518 0.0333 0.0456
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0006 0.0356
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0119 0.0062 0.01
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.2006 0.1339 0.3469
Echinococcus granulosus dna polymerase kappa 0.0077 0.0034 0.0031
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0042 0.001 0.004
Trichomonas vaginalis rotamase, putative 0.0033 0.0004 0.0107
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.5638 0.3798 0.6141
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.0017 0.0027
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.1274 0.0844 0.2154
Leishmania major DNA polymerase kappa, putative 0.0077 0.0034 0.0031
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0143 0.0079 0.0128
Treponema pallidum pyruvate carboxylase subunit B 0.0518 0.0333 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.0011 0.1248
Schistosoma mansoni hypothetical protein 0.0035 0.0006 0.0003
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0518 0.0333 0.033
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.5638 0.3798 0.3797
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0056 0.002 0.0097
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.0039 0.0085
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0077 0.0034 0.0031

Activities

Activity type Activity value Assay description Source Reference
H ABC (functional) < 1.9 The mean area between curves for Intraocular Pressure (IOP) between treated and control eyes. The effect was tested in rabbit at a dose of 0.5 (microg/eye) ChEMBL. 7830272
H ABC (functional) < 2.2 The mean area between curves for Intraocular Pressure (IOP) between treated and control eyes. The effect was tested in rabbit at a dose of 0.5 (microg/eye) ChEMBL. 7830272
Hmax (functional) < 0.7 The maximal difference in Intraocular Pressure (IOP) between treated and control eyes. The effect was tested in rabbit at a dose of 0.5 (microg/eye) ChEMBL. 7830272
Hmax (functional) < 0.9 The maximal difference in Intraocular Pressure (IOP) between treated and control eyes. The effect was tested in rabbit at a dose of 0.5 (microg/eye) ChEMBL. 7830272
I ABC (functional) < -30 The mean area between curves for Intraocular Pressure (IOP) measured in treated and control eyes. The effect was tested in cats at a dose of 1.0 (microg/eye) ChEMBL. 7830272
I ABC (functional) = -23.5 The mean area between curves for Intraocular Pressure (IOP) measured in treated and control eyes. The effect was tested in cats at a dose of 1.0 (microg/eye) ChEMBL. 7830272
Imax (functional) < -4 mmHg The maximal difference in Intraocular Pressure (IOP) between treated and control eyes. The effect was tested in cats at a dose of 1.0 (microg/eye) ChEMBL. 7830272
Imax (functional) < -1.5 mmHg The maximal difference in Intraocular Pressure (IOP) between treated and control eyes. The effect was tested in cats at a dose of 1.0 (microg/eye) ChEMBL. 7830272
irr (functional) = 0 arbitrary units The mean ocular irritation in the treated eyes. An arbitrary scale of from 0 to 3 was used , 0 indicates absence of irritation and 3 complete closure of the lids. The effect was tested in cats at a dose of 1.0 (microg/eye) ChEMBL. 7830272
irr (functional) = 0.1 arbitrary units The mean ocular irritation in the treated eyes. An arbitrary scale of from 0 to 3 was used , 0 indicates absence of irritation and 3 complete closure of the lids. The effect was tested in cats at a dose of 1.0 (microg/eye) ChEMBL. 7830272
P ABC (functional) = 2.3 The mean area between curves for pupil diameter between treated and control eyes. The effect was tested in cats at a dose of 1.0 (microg/eye) ChEMBL. 7830272
P ABC (functional) = 6.5 The mean area between curves for pupil diameter between treated and control eyes. The effect was tested in cats at a dose of 1.0 (microg/eye) ChEMBL. 7830272
Pmax (functional) = -0.3 mM The maximal difference in Intraocular Pressure (IOP) from pupil diameter between treated and control eyes. The effect was tested in cats at a dose of 1.0 (microg/eye) ChEMBL. 7830272
Pmax (functional) = 0.5 mM The maximal difference in Intraocular Pressure (IOP) from pupil diameter between treated and control eyes. The effect was tested in cats at a dose of 1.0 (microg/eye) ChEMBL. 7830272

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

1 literature reference was collected for this gene.

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