Detailed information for compound 593596

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 476.998 | Formula: C27H29ClN4O2
  • H donors: 0 H acceptors: 2 LogP: 5.27 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCC(CC1)N(C(=O)C=Cc1cn(nc1c1cc2c(o1)cccc2)c1ccccc1)C.Cl
  • InChi: 1S/C27H28N4O2.ClH/c1-29-16-14-22(15-17-29)30(2)26(32)13-12-21-19-31(23-9-4-3-5-10-23)28-27(21)25-18-20-8-6-7-11-24(20)33-25;/h3-13,18-19,22H,14-17H2,1-2H3;1H
  • InChiKey: FLJJVRHYOMLSQP-UHFFFAOYSA-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 hypothetical protein 0.0116 0.0703 0.069
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0207 0.13 0.1288
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0166 0.0152
Schistosoma mansoni cpg binding protein 0.002 0.0071 0.0057
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0207 0.13 0.1276
Plasmodium falciparum dihydrolipoamide acyltransferase component E2 0.0053 0.0288 0.0363
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.028 0.029
Echinococcus granulosus dnaJ subfamily B 0.0275 0.1749 0.1738
Loa Loa (eye worm) hypothetical protein 0.0036 0.0171 0.0177
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E2 component BkdC 0.0053 0.0288 0.0699
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0581 0.3769 0.3761
Schistosoma mansoni acetyl-CoA carboxylase 0.1525 1 1
Echinococcus granulosus cpg binding protein 0.002 0.0071 0.0057
Schistosoma mansoni ap endonuclease 0.0014 0.0027 0.0013
Plasmodium vivax dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative 0.0053 0.0288 0.0363
Loa Loa (eye worm) hypothetical protein 0.0052 0.028 0.029
Loa Loa (eye worm) hypothetical protein 0.0018 0.0056 0.0058
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0053 0.0288 0.0275
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0207 0.13 0.2073
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.1525 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.011 0.0114
Brugia malayi hypothetical protein 0.0316 0.2022 0.2096
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0045 0.0046
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0053 0.0288 0.0275
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0207 0.13 0.3401
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0053 0.0288 0.0426
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0207 0.13 0.1276
Loa Loa (eye worm) hypothetical protein 0.0018 0.0053 0.0055
Echinococcus multilocularis cpg binding protein 0.002 0.0071 0.0057
Mycobacterium ulcerans pyruvate carboxylase 0.0581 0.3769 1
Schistosoma mansoni lamin 0.0018 0.0056 0.0042
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.0053 0.0288 0.0262
Treponema pallidum pyruvate carboxylase subunit B 0.0053 0.0288 1
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.0053 0.0288 0.0262
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.011 0.0083
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.0053 0.0288 0.0426
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0581 0.3769 0.3761
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0207 0.13 0.2905
Schistosoma mansoni aldehyde dehydrogenase 0.0104 0.0622 0.0609
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.026 0.1652 1
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0207 0.13 0.1288
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.0053 0.0288 0.0262
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0207 0.13 0.1288
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0207 0.13 0.2073
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0053 0.0288 0.0426
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0581 0.3769 1
Entamoeba histolytica hypothetical protein 0.0035 0.0166 0.0855
Trypanosoma brucei acetyl-CoA carboxylase 0.1525 1 1
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0581 0.3769 1
Loa Loa (eye worm) intermediate filament protein 0.0018 0.0056 0.0058
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0053 0.0288 0.0262
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0581 0.3769 0.6096
Trypanosoma cruzi acetyl-CoA carboxylase 0.0944 0.6167 1
Echinococcus multilocularis GPCR, family 2 0.0016 0.0045 0.0031
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0581 0.3769 0.3752
Schistosoma mansoni hypothetical protein 0.0016 0.0045 0.0031
Entamoeba histolytica hypothetical protein 0.0035 0.0166 0.0855
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0166 0.0152
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0131 0.0802 0.0789
Toxoplasma gondii histone lysine methyltransferase SET1 0.0037 0.0177 0.0151
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.1471 0.9647 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0207 0.13 0.3401
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0131 0.0802 0.1078
Echinococcus granulosus Biotin lipoyl attachment 0.0053 0.0288 0.0275
Schistosoma mansoni lamin 0.0018 0.0056 0.0042
Schistosoma mansoni hypothetical protein 0.0116 0.0703 0.069
Mycobacterium ulcerans aldehyde dehydrogenase 0.0104 0.0622 0.159
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0053 0.0288 0.0426
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0581 0.3769 0.3761
Mycobacterium ulcerans aldehyde dehydrogenase 0.0104 0.0622 0.159
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0581 0.3769 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide acyltransferase E2 component 0.0053 0.0288 0.0699
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0207 0.13 0.2905
Loa Loa (eye worm) hypothetical protein 0.0053 0.0288 0.0299
Brugia malayi hypothetical protein 0.0035 0.0166 0.0172
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.1103 0.7219 1
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.011 0.0115
Echinococcus granulosus intermediate filament protein 0.0018 0.0056 0.0042
Schistosoma mansoni cpg binding protein 0.002 0.0071 0.0057
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0581 0.3769 0.3752
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0171 0.0177
Leishmania major carboxylase, putative 0.0581 0.3769 0.3752
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.011 0.0115
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.0053 0.0288 0.0262
Echinococcus granulosus geminin 0.0116 0.0703 0.069
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0053 0.0288 0.0275
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0045 0.0046
Mycobacterium ulcerans dihydrolipoamide acetyltransferase 0.0053 0.0288 0.0699
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0045 0.0031
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0207 0.13 0.2073
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0207 0.13 0.3401
Brugia malayi hypothetical protein 0.0017 0.0048 0.005
Schistosoma mansoni hypothetical protein 0.0016 0.0045 0.0031
Loa Loa (eye worm) hypothetical protein 0.0016 0.0045 0.0046
Entamoeba histolytica hypothetical protein 0.0035 0.0166 0.0855
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0053 0.0288 0.0275
Echinococcus multilocularis lamin dm0 0.0018 0.0056 0.0042
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0207 0.13 0.3401
Loa Loa (eye worm) hypothetical protein 0.0222 0.1403 0.1454
Schistosoma mansoni hypothetical protein 0.0035 0.0166 0.0152
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0207 0.13 0.3401
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.0053 0.0288 0.0262
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0045 0.0031
Schistosoma mansoni aldehyde dehydrogenase 0.0104 0.0622 0.0609
Brugia malayi intermediate filament protein 0.0018 0.0056 0.0058
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0053 0.0288 0.0299
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0207 0.13 0.3401
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.1525 1 1
Chlamydia trachomatis biotin carboxylase 0.0527 0.3417 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0014 0.0027 0.0013
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.028 0.029
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0045 0.0031
Schistosoma mansoni survival motor neuron protein 0.0045 0.0235 0.0221
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.1525 1 1
Schistosoma mansoni hypothetical protein 0.0275 0.1749 0.1738
Schistosoma mansoni pyruvate carboxylase 0.0581 0.3769 0.3761
Schistosoma mansoni aspartate carbamoyltransferase 0.0131 0.0802 0.0789
Brugia malayi exodeoxyribonuclease III family protein 0.0014 0.0027 0.0028
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.011 0.0135
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0207 0.13 0.3233
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.011 0.0115
Schistosoma mansoni cpg binding protein 0.0019 0.0063 0.0049
Loa Loa (eye worm) hypothetical protein 0.0053 0.0288 0.0299
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0581 0.3769 0.6096
Brugia malayi hypothetical protein 0.0222 0.1403 0.1454
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0131 0.0802 0.2072
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0053 0.0288 0.0275
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0207 0.13 0.2905
Mycobacterium tuberculosis Biotinylated protein TB7.3 0.0053 0.0288 0.0699
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0018 0.0056 0.0058
Schistosoma mansoni hypothetical protein 0.0016 0.0045 0.0031
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0131 0.0802 0.1263
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0581 0.3769 1
Plasmodium falciparum carbamoyl phosphate synthetase 0.0131 0.0802 0.1078
Mycobacterium tuberculosis DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase 0.0053 0.0288 0.0699
Echinococcus multilocularis geminin 0.0116 0.0703 0.069
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0131 0.0802 0.0777
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0207 0.13 0.1276
Trichomonas vaginalis ap endonuclease, putative 0.0014 0.0027 0.5
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0207 0.13 0.3401
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.0053 0.0288 0.0262
Plasmodium falciparum dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex 0.0053 0.0288 0.0363
Schistosoma mansoni intermediate filament proteins 0.0018 0.0056 0.0042
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.0053 0.0288 0.0262
Onchocerca volvulus 0.0316 0.2022 1
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.0053 0.0288 0.0262
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0045 0.0235 0.0244
Leishmania major carbamoyl-phosphate synthase, putative 0.0131 0.0802 0.0777
Echinococcus granulosus survival motor neuron protein 1 0.0222 0.1403 0.1391
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0053 0.0288 0.0299
Entamoeba histolytica hypothetical protein 0.0035 0.0166 0.0855
Echinococcus granulosus GPCR family 2 0.0016 0.0045 0.0031
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.011 0.0083
Toxoplasma gondii pyruvate carboxylase 0.0581 0.3769 0.3752
Echinococcus granulosus lamin dm0 0.0018 0.0056 0.0042
Toxoplasma gondii carbamoylphosphate synthetase 0.0131 0.0802 0.0777
Schistosoma mansoni hypothetical protein 0.0045 0.0235 0.0221
Echinococcus multilocularis survival motor neuron protein 1 0.0222 0.1403 0.1391
Echinococcus multilocularis lamin 0.0018 0.0056 0.0042
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.0053 0.0288 0.0262
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.028 0.029
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.1103 0.7219 1
Schistosoma mansoni hypothetical protein 0.0036 0.0171 0.0157
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0104 0.0622 0.0609
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0207 0.13 0.3401
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.0053 0.0288 0.0262
Schistosoma mansoni ap endonuclease 0.0014 0.0027 0.0013
Entamoeba histolytica acetyl-coA carboxylase, putative 0.026 0.1652 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0045 0.0046
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0104 0.0622 0.0609
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0581 0.3769 1
Mycobacterium ulcerans branched-chain alpha-keto acid dehydrogenase subunit E2 0.0053 0.0288 0.0699
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0053 0.0288 0.0426
Trypanosoma brucei unspecified product 0.0382 0.2456 0.2436
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0053 0.0288 0.0275
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0053 0.0288 0.0299
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0207 0.13 0.3401
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.0053 0.0288 0.0262
Schistosoma mansoni hypothetical protein 0.0016 0.0045 0.0031
Leishmania major hypothetical protein, conserved 0.0026 0.011 0.0083
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0581 0.3769 0.3752
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0104 0.0622 0.159
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.0053 0.0288 0.0262
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0053 0.0288 0.0426
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0131 0.0802 0.1263
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0053 0.0288 0.0275
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.011 0.0135
Onchocerca volvulus 0.0019 0.0063 0.0039
Onchocerca volvulus 0.0045 0.0235 0.0913
Brugia malayi Intermediate filament tail domain containing protein 0.0018 0.0056 0.0058
Brugia malayi CXXC zinc finger family protein 0.0019 0.0063 0.0066
Loa Loa (eye worm) CXXC zinc finger family protein 0.0019 0.0063 0.0066
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0045 0.0031
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0014 0.0027 0.0028
Brugia malayi Carboxyl transferase domain containing protein 0.1471 0.9647 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0581 0.3769 0.3761
Toxoplasma gondii aldehyde dehydrogenase 0.0104 0.0622 0.0597
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0131 0.0802 0.0789
Echinococcus granulosus lamin 0.0018 0.0056 0.0042
Mycobacterium ulcerans aldehyde dehydrogenase 0.0104 0.0622 0.159
Echinococcus multilocularis Biotin lipoyl attachment 0.0053 0.0288 0.0275
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0041 0.0206 0.0192
Plasmodium vivax lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative 0.0053 0.0288 0.0363
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0053 0.0288 0.0275
Mycobacterium ulcerans hypothetical protein 0.0053 0.0288 0.0699
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0014 0.0027 0.0013
Loa Loa (eye worm) hypothetical protein 0.0316 0.2022 0.2096
Plasmodium falciparum lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex 0.0053 0.0288 0.0363
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0104 0.0622 0.0597
Trichomonas vaginalis ap endonuclease, putative 0.0014 0.0027 0.5
Echinococcus multilocularis dnaJ subfamily B 0.0275 0.1749 0.1738
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0581 0.3769 1
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0131 0.0802 0.2072
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0581 0.3769 1
Leishmania major acetyl-CoA carboxylase, putative 0.1525 1 1
Wolbachia endosymbiont of Brugia malayi branched-chain alpha-keto acid dehydrogenase subunit E2 0.0053 0.0288 0.0699
Loa Loa (eye worm) hypothetical protein 0.0053 0.0288 0.0299
Brugia malayi hypothetical protein 0.0026 0.011 0.0114
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0166 0.0152
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0207 0.13 0.1276
Echinococcus multilocularis musashi 0.0018 0.0056 0.0042
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0053 0.0288 0.0426

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -0.25 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 1.17 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 2 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 3 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 5 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 38 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 92 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 5.71 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = 2 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 5 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 38 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 92 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 5.87 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 1.34049 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

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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