Detailed information for compound 1442071

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 286.713 | Formula: C15H11ClN2O2
  • H donors: 1 H acceptors: 2 LogP: 2.49 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C[N+](=C(c2c(N1)ccc(c2)Cl)c1ccccc1)[O-]
  • InChi: 1S/C15H11ClN2O2/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18(20)9-14(19)17-13/h1-8H,9H2,(H,17,19)
  • InChiKey: GGRWZBVSUZZMKS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0025 0.0007 0.0007
Toxoplasma gondii carbamoylphosphate synthetase 0.0852 0.0844 0.084
Echinococcus granulosus GPCR family 2 0.0036 0.0018 0.0016
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0347 0.0332 0.0332
Brugia malayi Bromodomain containing protein 0.0095 0.0077 0.0076
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E2 component BkdC 0.0347 0.0332 0.0864
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.3769 0.3797 0.6141
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0007 0.0005
Loa Loa (eye worm) RNA binding protein 0.0069 0.0051 0.0049
Brugia malayi Bromodomain containing protein 0.005 0.0032 0.0029
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0035 0.0035
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.1341 0.1339 0.3518
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0013 0.0011
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0009 0.0009
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0017 0.0017
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.0347 0.0332 0.0332
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.1341 0.1339 0.2905
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0077 0.0059 0.0056
Schistosoma mansoni hypothetical protein 0.0036 0.0018 0.0018
Schistosoma mansoni pyruvate carboxylase 0.3769 0.3797 0.3797
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.1341 0.1339 0.1335
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0051 0.0051
Loa Loa (eye worm) hypothetical protein 0.0347 0.0332 0.034
Loa Loa (eye worm) hypothetical protein 0.0036 0.0018 0.0014
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0009 0.0007
Brugia malayi RNA, U transporter 1 0.01 0.0082 0.0081
Leishmania major GTP-binding protein, putative 0.0026 0.0007 0.0007
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0036 0.0018 0.0016
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide acyltransferase E2 component 0.0347 0.0332 0.0864
Echinococcus granulosus importin subunit beta 1 0.0035 0.0017 0.0015
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.3769 0.3797 1
Mycobacterium tuberculosis Biotinylated protein TB7.3 0.0347 0.0332 0.0864
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0007 0.0003
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0002 0.0002
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.9895 1 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0162 0.0145 0.0145
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0009 0.0007
Leishmania major propionyl-coa carboxylase beta chain, putative 0.1341 0.1339 0.1339
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.1687 0.169 1
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0852 0.0844 0.1161
Brugia malayi acetyltransferase, GNAT family protein 0.0162 0.0145 0.0146
Echinococcus granulosus snurportin 1 0.0374 0.036 0.0358
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0053 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0047 0.0028 0.0025
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0007 0.0018
Schistosoma mansoni ran 0.0026 0.0007 0.0007
Trichomonas vaginalis ran, putative 0.0026 0.0007 0.0124
Schistosoma mansoni ap endonuclease 0.0023 0.0004 0.0004
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.3769 0.3797 1
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1341 0.1339 0.1339
Plasmodium falciparum dihydrolipoamide acyltransferase component E2 0.0347 0.0332 0.0454
Entamoeba histolytica hypothetical protein 0.0028 0.001 0.0033
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.0347 0.0332 0.0332
Trypanosoma brucei unspecified product 0.2478 0.249 0.249
Echinococcus granulosus Biotin lipoyl attachment 0.0347 0.0332 0.033
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0852 0.0844 0.2213
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0852 0.0844 0.0844
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.1341 0.1339 0.3518
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0004 0.0004
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0374 0.036 0.0369
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0044 0.0025 0.0023
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.3769 0.3797 1
Loa Loa (eye worm) acetyltransferase 0.0162 0.0145 0.0146
Schistosoma mansoni hypothetical protein 0.0036 0.0018 0.0018
Echinococcus multilocularis snurportin 1 0.0374 0.036 0.0358
Mycobacterium ulcerans dihydrolipoamide acetyltransferase 0.0347 0.0332 0.0864
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.3769 0.3797 0.3797
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0014 0.001
Loa Loa (eye worm) hypothetical protein 0.0347 0.0332 0.034
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.9548 0.9649 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0026 0.0007 0.0003
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0852 0.0844 0.0844
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0347 0.0332 0.0537
Entamoeba histolytica Ran family GTPase 0.0026 0.0007 0.0018
Loa Loa (eye worm) hypothetical protein 0.0053 0.0035 0.0032
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0347 0.0332 0.033
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1341 0.1339 0.1339
Echinococcus granulosus histone acetyltransferase KAT2B 0.005 0.0031 0.0029
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0007 0.0002
Mycobacterium ulcerans pyruvate carboxylase 0.3769 0.3797 1
Entamoeba histolytica acetyl-coA carboxylase, putative 0.1687 0.169 1
Loa Loa (eye worm) hypothetical protein 0.0115 0.0098 0.0097
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0347 0.0332 0.033
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.1341 0.1339 0.1337
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.1341 0.1339 0.2905
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.0347 0.0332 0.0537
Schistosoma mansoni importin beta-1 0.0035 0.0017 0.0017
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.9895 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0014 0.0014
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0004 0.0007
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0115 0.0098 0.0097
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0004 0.0004
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0007 0.0012
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.0051 0.0049
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0347 0.0332 0.0537
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.1341 0.1339 0.3518
Schistosoma mansoni bromodomain containing protein 0.0081 0.0063 0.0063
Trichomonas vaginalis importin beta-1, putative 0.0028 0.001 0.0235
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.3769 0.3797 0.3797
Echinococcus granulosus zinc finger protein 0.0028 0.0009 0.0007
Brugia malayi Pre-SET motif family protein 0.0228 0.0212 0.0215
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0347 0.0332 0.0332
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.3769 0.3797 0.3796
Mycobacterium ulcerans hypothetical protein 0.0347 0.0332 0.0864
Brugia malayi RNA binding protein 0.0069 0.0051 0.0049
Plasmodium falciparum carbamoyl phosphate synthetase 0.0852 0.0844 0.1161
Plasmodium vivax dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative 0.0347 0.0332 0.0454
Giardia lamblia Histone acetyltransferase GCN5 0.0043 0.0025 0.012
Trichomonas vaginalis bromodomain-containing protein, putative 0.005 0.0031 0.1129
Treponema pallidum pyruvate carboxylase subunit B 0.0347 0.0332 1
Schistosoma mansoni aspartate carbamoyltransferase 0.0852 0.0844 0.0844
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0347 0.0332 0.0332
Loa Loa (eye worm) hypothetical protein 0.0056 0.0038 0.0035
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.001 0.0016
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1341 0.1339 0.2165
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1341 0.1339 0.2165
Schistosoma mansoni ran 0.0026 0.0007 0.0007
Echinococcus granulosus geminin 0.0392 0.0378 0.0376
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0036 0.0018 0.0016
Brugia malayi Carboxyl transferase domain containing protein 0.9548 0.9649 1
Loa Loa (eye worm) TAR-binding protein 0.0069 0.0051 0.0049
Schistosoma mansoni hypothetical protein 0.0392 0.0378 0.0378
Brugia malayi Latrophilin receptor protein 2 0.0036 0.0018 0.0014
Schistosoma mansoni hypothetical protein 0.0392 0.0378 0.0378
Chlamydia trachomatis biotin carboxylase 0.3422 0.3446 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.005 0.0031 0.0027
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.3769 0.3797 1
Leishmania major acetyl-CoA carboxylase, putative 0.9895 1 1
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0347 0.0332 0.0537
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0347 0.0332 0.0332
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.3769 0.3797 0.3797
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.005 0.0031 0.1129
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.001 0.0235
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0014 0.0014
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0115 0.0098 0.0097
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0162 0.0145 0.0143
Brugia malayi PHD-finger family protein 0.0034 0.0016 0.0012
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0347 0.0332 0.033
Brugia malayi latrophilin 2 splice variant baaae 0.0079 0.0061 0.0059
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0017 0.0012
Plasmodium vivax SET domain protein, putative 0.0033 0.0014 0.0014
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0017 0.0015
Leishmania major carboxylase, putative 0.3769 0.3797 0.3797
Loa Loa (eye worm) hypothetical protein 0.0035 0.0017 0.0013
Toxoplasma gondii pyruvate carboxylase 0.3769 0.3797 0.3795
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.3769 0.3797 0.3796
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.7161 0.7231 1
Mycobacterium tuberculosis DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase 0.0347 0.0332 0.0864
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0852 0.0844 0.0844
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0347 0.0332 0.0537
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.1341 0.1339 0.3518
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0347 0.0332 0.0537
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0347 0.0332 0.033
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.005 0.0031 0.0027
Wolbachia endosymbiont of Brugia malayi branched-chain alpha-keto acid dehydrogenase subunit E2 0.0347 0.0332 0.0864
Plasmodium falciparum importin beta, putative 0.0035 0.0017 0.0017
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0347 0.0332 0.0332
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.0347 0.0332 0.0328
Schistosoma mansoni acetyl-CoA carboxylase 0.9895 1 1
Echinococcus granulosus tar DNA binding protein 0.0069 0.0051 0.0049
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0044 0.0025 0.0023
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0026 0.0007 0.0004
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.0347 0.0332 0.0328
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0051 0.0051
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.3769 0.3797 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0017 0.0017
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0004 0.0007
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.9895 1 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.005 0.0031 0.0037
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0347 0.0332 0.034
Loa Loa (eye worm) hypothetical protein 0.0053 0.0035 0.0032
Plasmodium vivax importin-beta 2, putative 0.0035 0.0017 0.0017
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0007 0.0005
Echinococcus multilocularis Biotin lipoyl attachment 0.0347 0.0332 0.033
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0007 0.0007
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.1341 0.1339 0.3518
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0347 0.0332 0.034
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0036 0.0018 0.0014
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.0347 0.0332 0.0328
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0051 0.0051
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.7161 0.7231 1
Schistosoma mansoni ap endonuclease 0.0023 0.0004 0.0004
Brugia malayi Pre-SET motif family protein 0.0033 0.0014 0.001
Leishmania major importin beta-1 subunit, putative 0.0028 0.001 0.001
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0036 0.0018 0.0016
Leishmania major carbamoyl-phosphate synthase, putative 0.0852 0.0844 0.0844
Brugia malayi Importin beta-1 subunit 0.0035 0.0017 0.0013
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.3769 0.3797 0.3797
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0889 0.0881 0.0879
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0051 0.0051
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0077 0.0059 0.0056
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0007 0.0003
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.0347 0.0332 0.0332
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0347 0.0332 0.034
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0852 0.0844 0.1364
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.0347 0.0332 0.0328
Echinococcus granulosus histone lysine methyltransferase setb 0.0053 0.0035 0.0033
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.3769 0.3797 0.3797
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.1341 0.1339 0.3518
Onchocerca volvulus 0.026 0.0244 1
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.1341 0.1339 0.2905
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0004 0.0002
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.3769 0.3797 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0004 0.0002
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.3769 0.3797 0.6141
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.0347 0.0332 0.0328
Echinococcus granulosus histone acetyltransferase KAT2B 0.0154 0.0138 0.0135
Schistosoma mansoni hypothetical protein 0.0374 0.036 0.036
Echinococcus multilocularis GPCR, family 2 0.0036 0.0018 0.0016
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.0347 0.0332 0.0332
Schistosoma mansoni tar DNA-binding protein 0.0069 0.0051 0.0051
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0086 0.0068 0.0066
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.0347 0.0332 0.0332
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0228 0.0212 0.0215
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.0347 0.0332 0.0332
Plasmodium falciparum histone acetyltransferase GCN5 0.0043 0.0025 0.0028
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0053 0.0035 0.0033
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0007 0.0012
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.1341 0.1339 0.1339
Mycobacterium ulcerans branched-chain alpha-keto acid dehydrogenase subunit E2 0.0347 0.0332 0.0864
Schistosoma mansoni zinc finger protein 0.0028 0.0009 0.0009
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0014 0.0012
Echinococcus multilocularis zinc finger protein 0.0028 0.0009 0.0007
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.001 0.0235
Loa Loa (eye worm) hypothetical protein 0.0347 0.0332 0.034
Brugia malayi Calcitonin receptor-like protein seb-1 0.0115 0.0098 0.0097
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0036 0.0018 0.0016
Loa Loa (eye worm) bromodomain containing protein 0.0025 0.0007 0.0003
Plasmodium vivax lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative 0.0347 0.0332 0.0454
Plasmodium falciparum dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex 0.0347 0.0332 0.0454
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.1341 0.1339 0.3233
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.1341 0.1339 0.3518
Plasmodium falciparum lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex 0.0347 0.0332 0.0454
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.0347 0.0332 0.0332
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.3769 0.3797 1
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.1341 0.1339 0.1337
Trichomonas vaginalis set domain proteins, putative 0.026 0.0244 1
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.1341 0.1339 0.3518
Schistosoma mansoni hypothetical protein 0.0036 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0079 0.0061 0.0059
Trypanosoma cruzi acetyl-CoA carboxylase 0.6126 0.6184 1
Schistosoma mansoni hypothetical protein 0.0079 0.0061 0.0061
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0852 0.0844 0.1364
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.1341 0.1339 0.3518
Schistosoma mansoni hypothetical protein 0.0036 0.0018 0.0018
Echinococcus multilocularis tar DNA binding protein 0.0069 0.0051 0.0049
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0852 0.0844 0.2213
Trypanosoma brucei acetyl-CoA carboxylase 0.9895 1 1
Echinococcus multilocularis geminin 0.0392 0.0378 0.0376
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.0051 0.0049
Entamoeba histolytica acetyltransferase, GNAT family 0.0043 0.0025 0.012
Loa Loa (eye worm) latrophilin receptor protein 2 0.0036 0.0018 0.0014
Brugia malayi TAR-binding protein 0.0069 0.0051 0.0049
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0026 0.0007 0.0004
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.1341 0.1339 0.2165
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0347 0.0332 0.0537

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 100 mg kg-1 Induction of muscle relaxation/sedation in po dosed mouse by inclined screen test ChEMBL. 34039
Potency (functional) 3.6964 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.5821 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 75.193 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Retention_time (ADMET) = 5.62 min Drug level in Homo sapiens (human) whole blood assessed as retention time by UPLC-TOF-MS analysis ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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