Detailed information for compound 1363836

Basic information

Technical information
  • TDR Targets ID: 1363836
  • Name: 8-[(2-chlorophenyl)methyl]-6-(3,4-difluorophe nyl)pteridin-7-one
  • MW: 384.767 | Formula: C19H11ClF2N4O
  • H donors: 0 H acceptors: 3 LogP: 3.47 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1Cn1c(=O)c(nc2c1ncnc2)c1ccc(c(c1)F)F
  • InChi: 1S/C19H11ClF2N4O/c20-13-4-2-1-3-12(13)9-26-18-16(8-23-10-24-18)25-17(19(26)27)11-5-6-14(21)15(22)7-11/h1-8,10H,9H2
  • InChiKey: OODWDKOVTOSKAX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 8-[(2-chlorophenyl)methyl]-6-(3,4-difluorophenyl)-7-pteridinone
  • 8-(2-chlorobenzyl)-6-(3,4-difluorophenyl)pteridin-7-one
  • NCGC00011469
  • PCOP-498202

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1721 0.3724 0.6066
Toxoplasma gondii dihydrolipoamide acyltransferase, putative 0.0158 0.0217 0.0217
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0612 0.1236 0.2905
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.0158 0.0217 0.0217
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.0158 0.0217 0.0217
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0612 0.1236 0.2013
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E2 0.0158 0.0217 0.0217
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1721 0.3724 0.6066
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0612 0.1236 0.2905
Loa Loa (eye worm) cytochrome P450 family protein 0.0063 0.0004 0.0004
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1721 0.3724 0.3724
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.1721 0.3724 1
Leishmania major carboxylase, putative 0.1721 0.3724 0.3724
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.077 0.1591 1
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.1721 0.3724 0.3724
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0158 0.0217 0.0217
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0158 0.0217 0.0217
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.1721 0.3724 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.049 0.0508
Schistosoma mansoni acetyl-CoA carboxylase 0.4518 1 1
Schistosoma mansoni aspartate carbamoyltransferase 0.0389 0.0735 0.0735
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0612 0.1236 0.2905
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0158 0.0217 0.0217
Brugia malayi Carboxyl transferase domain containing protein 0.436 0.9645 1
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.1721 0.3724 0.3724
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0612 0.1236 0.1236
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.0158 0.0217 0.0217
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.1721 0.3724 1
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0158 0.0217 0.0354
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.1721 0.3724 1
Treponema pallidum pyruvate carboxylase subunit B 0.0158 0.0217 0.5
Toxoplasma gondii 2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein 0.0158 0.0217 0.0217
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0389 0.0735 0.1197
Trichomonas vaginalis CMGC family protein kinase 0.0062 0 0.5
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0158 0.0217 0.0354
Trypanosoma brucei acetyl-CoA carboxylase 0.4518 1 1
Leishmania major acetyl-CoA carboxylase, putative 0.4518 1 1
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0158 0.0217 0.0217
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0612 0.1236 0.1236
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.4518 1 1
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0158 0.0217 0.0354
Trichomonas vaginalis CMGC family protein kinase 0.0062 0 0.5
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0158 0.0217 0.0354
Schistosoma mansoni pyruvate carboxylase 0.1721 0.3724 0.3724
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.3269 0.7198 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0612 0.1236 0.2905
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.0158 0.0217 0.0354
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0087 0.009
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0612 0.1236 0.2905
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.0158 0.0217 0.0217
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0389 0.0735 0.1476
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0087 0.0087
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0612 0.1236 0.2013
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0612 0.1236 0.1236
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0612 0.1236 0.2905
Trichomonas vaginalis CMGC family protein kinase 0.0062 0 0.5
Toxoplasma gondii pyruvate carboxylase 0.1721 0.3724 0.3724
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0158 0.0217 0.0225
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0158 0.0217 0.0225
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0612 0.1236 0.2905
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.0158 0.0217 0.0217
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0612 0.1236 0.2905
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.4518 1 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0087 0.009
Toxoplasma gondii biotin-requiring enzyme domain-containing protein 0.0158 0.0217 0.0217
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.0158 0.0217 0.0217
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0389 0.0735 0.0735
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0158 0.0217 0.0354
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.1721 0.3724 1
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0158 0.0217 0.0225
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0612 0.1236 0.2013
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.0158 0.0217 0.0217
Mycobacterium ulcerans pyruvate carboxylase 0.1721 0.3724 1
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.1721 0.3724 0.3724
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0158 0.0217 0.0217
Brugia malayi Cytochrome P450 family protein 0.0063 0.0004 0.0004
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0612 0.1236 0.2905
Trichomonas vaginalis CMGC family protein kinase 0.0062 0 0.5
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0612 0.1236 0.1236
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0389 0.0735 0.1197
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0612 0.1236 0.2905
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0087 0.0087
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0389 0.0735 0.0735
Entamoeba histolytica acetyl-coA carboxylase, putative 0.077 0.1591 0.5
Loa Loa (eye worm) hypothetical protein 0.0158 0.0217 0.0225
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1721 0.3724 0.3724
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0158 0.0217 0.0354
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1721 0.3724 0.3724
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.4518 1 1
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.1721 0.3724 1
Leishmania major carbamoyl-phosphate synthase, putative 0.0389 0.0735 0.0735
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0158 0.0217 0.0217
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0158 0.0217 0.0217
Echinococcus multilocularis Biotin lipoyl attachment 0.0158 0.0217 0.0217
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.436 0.9645 1
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0612 0.1236 0.1236
Loa Loa (eye worm) hypothetical protein 0.0158 0.0217 0.0225
Toxoplasma gondii dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase 0.0158 0.0217 0.0217
Brugia malayi follicle stimulating hormone receptor 0.028 0.049 0.0508
Chlamydia trachomatis biotin carboxylase 0.1563 0.3368 1
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0158 0.0217 0.0217
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1721 0.3724 0.3724
Loa Loa (eye worm) hypothetical protein 0.0158 0.0217 0.0225
Onchocerca volvulus 0.01 0.0087 0.5
Trypanosoma brucei unspecified product 0.1131 0.2401 0.2401
Echinococcus granulosus Biotin lipoyl attachment 0.0158 0.0217 0.0217
Trypanosoma cruzi acetyl-CoA carboxylase 0.2797 0.6138 1
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0389 0.0735 0.1476
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0087 0.0087
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0158 0.0217 0.0217
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0612 0.1236 0.1236
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0612 0.1236 0.3233
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0389 0.0735 0.0742
Plasmodium falciparum carbamoyl phosphate synthetase 0.0389 0.0735 0.0742
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0612 0.1236 0.2905
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.3269 0.7198 1
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0612 0.1236 0.2905
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0389 0.0735 0.0735
Toxoplasma gondii carbamoylphosphate synthetase 0.0389 0.0735 0.0735
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.1721 0.3724 1
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0612 0.1236 0.1236

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 5.011872336 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 5.011872336 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 6.309573445 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 12.58925412 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ] ChEMBL. No reference
Potency (ADMET) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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