Detailed information for compound 1402895

Basic information

Technical information
  • TDR Targets ID: 1402895
  • Name: 3-[8-methyl-7-oxo-2-(phenoxy)pteridin-6-yl]be nzonitrile
  • MW: 355.35 | Formula: C20H13N5O2
  • H donors: 0 H acceptors: 4 LogP: 2.73 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cccc(c1)c1nc2cnc(nc2n(c1=O)C)Oc1ccccc1
  • InChi: 1S/C20H13N5O2/c1-25-18-16(12-22-20(24-18)27-15-8-3-2-4-9-15)23-17(19(25)26)14-7-5-6-13(10-14)11-21/h2-10,12H,1H3
  • InChiKey: LNPRHOIPLPTHCE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[8-methyl-7-oxo-2-(phenoxy)-6-pteridinyl]benzonitrile
  • 3-[7-keto-8-methyl-2-(phenoxy)pteridin-6-yl]benzonitrile
  • NCGC00010151
  • PCOP-50314

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, 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 brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold 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
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
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
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 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
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, 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
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
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 aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0033 0.3494 0.6433
Echinococcus multilocularis rhodopsin orphan GPCR 0.0033 0.3494 0.1935
Loa Loa (eye worm) TYRA-2 protein 0.0033 0.3494 0.6433
Echinococcus multilocularis rhodopsin orphan GPCR 0.0033 0.3494 0.1935
Onchocerca volvulus 0.0033 0.3494 0.5
Onchocerca volvulus 0.0033 0.3494 0.5
Schistosoma mansoni amine GPCR 0.0033 0.3494 0.1935
Echinococcus granulosus biogenic amine 5HT receptor 0.0033 0.3494 0.1935
Schistosoma mansoni amine GPCR 0.0033 0.3494 0.1935
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.1933 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0033 0.3494 0.5239
Echinococcus multilocularis rhodopsin orphan GPCR 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Echinococcus multilocularis fmrfamide receptor 0.0033 0.3494 0.1935
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.5431 0.4336
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Brugia malayi Serotonin receptor 0.0033 0.3494 0.5239
Brugia malayi RE15519p 0.0033 0.3494 0.5239
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0033 0.3494 0.1935
Echinococcus granulosus tm gpcr rhodopsin 0.0033 0.3494 0.1935
Brugia malayi G-protein coupled receptor 0.0033 0.3494 0.5239
Loa Loa (eye worm) melatonin receptor type 1A 0.0033 0.3494 0.6433
Brugia malayi hypothetical protein 0.0033 0.3494 0.5239
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.1933 0.1404
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Echinococcus multilocularis g protein coupled receptor 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Schistosoma mansoni neuropeptide receptor 0.0033 0.3494 0.1935
Brugia malayi G-protein coupled receptor 0.0033 0.3494 0.5239
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.5431 1
Schistosoma mansoni biogenic amine receptor 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Brugia malayi ORL1-like opioid receptor 0.0033 0.3494 0.5239
Echinococcus multilocularis fmrfamide receptor 0.0033 0.3494 0.1935
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0033 0.3494 0.1935
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0033 0.3494 0.1935
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0033 0.3494 0.6433
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.5431 1
Onchocerca volvulus 0.0033 0.3494 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0033 0.3494 0.1935
Onchocerca volvulus Neuropeptide F receptor homolog 0.0033 0.3494 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0033 0.3494 0.1935
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0033 0.3494 0.1935
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Echinococcus granulosus G protein coupled receptor 139 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Echinococcus multilocularis dro:myosuppressin receptor 0.0033 0.3494 0.1935
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0033 0.3494 0.1935
Echinococcus granulosus tachykinin peptides receptor 99D 0.0033 0.3494 0.1935
Echinococcus granulosus fmrfamide receptor 0.0033 0.3494 0.1935
Brugia malayi putative neuropeptide receptor 0.0033 0.3494 0.5239
Schistosoma mansoni neuropeptide receptor 0.0033 0.3494 0.1935
Echinococcus granulosus neuropeptide Y receptor 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Echinococcus multilocularis neuropeptides capa receptor 0.0033 0.3494 0.1935
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0033 0.3494 0.1935
Echinococcus granulosus serotonin receptor 0.0033 0.3494 0.1935
Echinococcus multilocularis rhodopsin orphan GPCR 0.0033 0.3494 0.1935
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0033 0.3494 0.1935
Onchocerca volvulus 0.0033 0.3494 0.5
Echinococcus granulosus orexin receptor type 2 0.0033 0.3494 0.1935
Echinococcus multilocularis neuropeptide Y receptor 0.0033 0.3494 0.1935
Echinococcus granulosus hypothetical protein 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Schistosoma mansoni opsin-like receptor 0.0033 0.3494 0.1935
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.5431 0.4336
Schistosoma mansoni neuropeptide f receptor 76f 0.0033 0.3494 0.1935
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0033 0.3494 0.1935
Schistosoma mansoni biogenic amine receptor 0.0033 0.3494 0.1935
Brugia malayi Dopamine receptor protein 2 0.0033 0.3494 0.5239
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0033 0.3494 0.1935
Loa Loa (eye worm) G-protein coupled receptor 0.0033 0.3494 0.6433
Onchocerca volvulus 0.0033 0.3494 0.5
Brugia malayi Dopamine receptor protein 1 0.0033 0.3494 0.5239
Loa Loa (eye worm) CYP4Cod1 0.0019 0.1362 0.2508
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0033 0.3494 0.1935
Schistosoma mansoni opsin-like receptor 0.0033 0.3494 0.1935
Brugia malayi hypothetical protein 0.0033 0.3494 0.5239
Echinococcus granulosus sex peptide receptor 0.0033 0.3494 0.1935
Echinococcus granulosus rhodopsin orphan GPCR 0.0033 0.3494 0.1935
Onchocerca volvulus 0.0033 0.3494 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Brugia malayi putative neuropeptide receptor NPR1 0.0033 0.3494 0.5239
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0033 0.3494 0.1935
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.1933 0.5
Echinococcus granulosus neuropeptide receptor 0.0033 0.3494 0.1935
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.5431 0.4336
Schistosoma mansoni opsin-like receptor 0.0033 0.3494 0.1935
Echinococcus granulosus peptide allatostatin:somatostatin 0.0033 0.3494 0.1935
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0033 0.3494 0.1935
Echinococcus granulosus alpha 1A adrenergic receptor 0.0033 0.3494 0.1935
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0033 0.3494 0.5239
Brugia malayi hypothetical protein 0.0033 0.3494 0.5239
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.5431 1
Echinococcus multilocularis serotonin receptor 0.0033 0.3494 0.1935
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0033 0.3494 0.5239
Loa Loa (eye worm) neuropeptide F receptor 0.0033 0.3494 0.6433
Brugia malayi Serotonin receptor 0.0033 0.3494 0.5239
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.5431 1
Brugia malayi GnHR receptor homolog 0.0033 0.3494 0.5239
Loa Loa (eye worm) G-protein coupled receptor 0.0033 0.3494 0.6433
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0033 0.3494 0.1935
Brugia malayi larval opioid receptor 0.0033 0.3494 0.5239
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0033 0.3494 0.1935
Brugia malayi Tachykinin-like peptides receptor 99D 0.0033 0.3494 0.5239
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0033 0.3494 0.1935
Echinococcus multilocularis g protein coupled receptor 0.0033 0.3494 0.1935
Brugia malayi sulfakinin receptor protein 0.0033 0.3494 0.5239
Brugia malayi hypothetical protein 0.0033 0.3494 0.5239
Echinococcus multilocularis neuropeptide s receptor 0.0033 0.3494 0.1935
Onchocerca volvulus 0.0033 0.3494 0.5
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.5431 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0033 0.3494 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0033 0.3494 0.1935
Loa Loa (eye worm) neuropeptide F receptor 0.0033 0.3494 0.6433
Echinococcus granulosus neuropeptides capa receptor 0.0033 0.3494 0.1935
Schistosoma mansoni myosin xvIII 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Onchocerca volvulus 0.0033 0.3494 0.5
Brugia malayi G protein-coupled receptor 0.0033 0.3494 0.5239
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.5431 1
Echinococcus multilocularis serotonin receptor 0.0033 0.3494 0.1935
Onchocerca volvulus 0.0033 0.3494 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0033 0.3494 0.1935
Echinococcus granulosus neuropeptide Y receptor 0.0033 0.3494 0.1935
Onchocerca volvulus 0.0033 0.3494 0.5
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.5431 1
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.5431 0.4336
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0033 0.3494 0.1935
Echinococcus multilocularis sex peptide receptor 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Echinococcus multilocularis neuropeptide Y receptor 0.0033 0.3494 0.1935
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0033 0.3494 0.1935
Onchocerca volvulus 0.0033 0.3494 0.5
Brugia malayi neuropeptide F receptor 0.0033 0.3494 0.5239
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.1933 0.0661
Schistosoma mansoni hypothetical protein 0.0033 0.3494 0.1935
Onchocerca volvulus 0.0033 0.3494 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Echinococcus granulosus g protein coupled receptor 0.0033 0.3494 0.1935
Echinococcus multilocularis G-protein coupled receptor, putative 0.0033 0.3494 0.1935
Echinococcus multilocularis rhodopsin orphan GPCR 0.0033 0.3494 0.1935
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.1933 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Schistosoma mansoni neuropeptide F-like receptor 0.0033 0.3494 0.1935
Echinococcus multilocularis neuropeptide receptor A26 0.0033 0.3494 0.1935
Echinococcus granulosus 7tm_1 domain containing protein 0.0033 0.3494 0.1935
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.5431 0.471
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0033 0.3494 0.1935
Schistosoma mansoni hypothetical protein 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Echinococcus granulosus neuropeptide receptor A26 0.0033 0.3494 0.1935
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0033 0.3494 0.1935
Echinococcus granulosus tm gpcr rhodopsin 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Brugia malayi hypothetical protein 0.0033 0.3494 0.5239
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Brugia malayi hypothetical protein 0.0033 0.3494 0.5239
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.5431 0.4336
Schistosoma mansoni growth hormone secretagogue receptor 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.1933 0.1404
Echinococcus granulosus allatostatin A receptor 0.0033 0.3494 0.1935
Onchocerca volvulus 0.0033 0.3494 0.5
Schistosoma mansoni neuropeptide receptor 0.0033 0.3494 0.1935
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.1933 0.356
Echinococcus granulosus rhodopsin orphan GPCR 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.5431 0.4336
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0033 0.3494 0.6433
Echinococcus granulosus tm gpcr rhodopsin 0.0033 0.3494 0.1935
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.1933 0.1404
Echinococcus multilocularis neuropeptide FF receptor 2 0.0033 0.3494 0.1935
Schistosoma mansoni neuropeptide F-like receptor 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Schistosoma mansoni histamine h1 receptor 0.0033 0.3494 0.1935
Schistosoma mansoni alpha-1 adrenergic receptor 0.0033 0.3494 0.1935
Schistosoma mansoni hypothetical protein 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Onchocerca volvulus 0.0033 0.3494 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0033 0.3494 0.1935
Schistosoma mansoni biogenic amine receptor 0.0033 0.3494 0.1935
Echinococcus multilocularis rhodopsin orphan GPCR 0.0033 0.3494 0.1935
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.5431 0.4336
Echinococcus granulosus neuropeptide FF receptor 2 0.0033 0.3494 0.1935
Schistosoma mansoni biogenic amine (5HT) receptor 0.0033 0.3494 0.1935
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.1362 0.2508
Schistosoma mansoni amine GPCR 0.0033 0.3494 0.1935
Echinococcus granulosus dro:myosuppressin receptor 0.0033 0.3494 0.1935
Schistosoma mansoni amine GPCR 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0045 0.5431 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0033 0.3494 0.5239
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0033 0.3494 0.1935
Schistosoma mansoni neuropeptide receptor 0.0033 0.3494 0.1935
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Echinococcus multilocularis allatostatin A receptor 0.0033 0.3494 0.1935
Brugia malayi neuropeptide F receptor 0.0033 0.3494 0.5239
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0033 0.3494 0.1935
Echinococcus multilocularis g protein coupled receptor 0.0033 0.3494 0.1935
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0033 0.3494 0.1935
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.1362 0.2508
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.5431 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0033 0.3494 0.1935
Echinococcus granulosus rhodopsin orphan GPCR 0.0033 0.3494 0.1935
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0033 0.3494 0.1935
Echinococcus granulosus somatostatin receptor 0.0033 0.3494 0.1935
Echinococcus granulosus g protein coupled receptor 0.0033 0.3494 0.1935
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0033 0.3494 0.1935
Brugia malayi Melatonin receptor type 1A 0.0033 0.3494 0.5239
Echinococcus granulosus rhodopsin orphan GPCR 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Echinococcus granulosus rhodopsin orphan GPCR 0.0033 0.3494 0.1935
Echinococcus multilocularis rhodopsin orphan GPCR 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0033 0.3494 0.1935
Echinococcus multilocularis neuropeptide receptor 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.5431 1
Brugia malayi AKH receptor 0.0033 0.3494 0.5239
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0033 0.3494 0.1935
Brugia malayi follicle stimulating hormone receptor 0.0033 0.3494 0.5239
Echinococcus granulosus g-protein coupled receptor 0.0033 0.3494 0.1935
Schistosoma mansoni adenoreceptor 0.0033 0.3494 0.1935
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Onchocerca volvulus 0.0033 0.3494 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Brugia malayi Dopamine receptor 0.0033 0.3494 0.5239
Onchocerca volvulus 0.0033 0.3494 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0033 0.3494 0.1935
Brugia malayi hypothetical protein 0.0033 0.3494 0.5239
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Echinococcus granulosus rhodopsin orphan GPCR 0.0033 0.3494 0.1935
Schistosoma mansoni hypothetical protein 0.0033 0.3494 0.1935
Echinococcus granulosus neuropeptide s receptor 0.0033 0.3494 0.1935
Onchocerca volvulus 0.0033 0.3494 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Echinococcus granulosus neuropeptides capa receptor 0.0033 0.3494 0.1935
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0033 0.3494 0.1935
Schistosoma mansoni amine GPCR 0.0033 0.3494 0.1935
Echinococcus granulosus g protein coupled receptor 0.0033 0.3494 0.1935
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0033 0.3494 0.6433
Brugia malayi hypothetical protein 0.0033 0.3494 0.5239
Echinococcus multilocularis neuropeptide receptor 0.0033 0.3494 0.1935
Echinococcus multilocularis orexin receptor type 2 0.0033 0.3494 0.1935
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.1933 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0033 0.3494 0.1935
Echinococcus granulosus 7TM GPCR rhodopsin 0.0033 0.3494 0.1935
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0033 0.3494 0.6433
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0033 0.3494 0.1935
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0033 0.3494 0.1935
Schistosoma mansoni biogenic amine (5HT) receptor 0.0033 0.3494 0.1935
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0033 0.3494 0.1935
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.5431 0.4336
Echinococcus multilocularis neuropeptides capa receptor 0.0033 0.3494 0.1935
Echinococcus granulosus biogenic amine 5HT receptor 0.0033 0.3494 0.1935
Brugia malayi G protein-coupled receptor F59B2.13 0.0033 0.3494 0.5239
Echinococcus multilocularis somatostatin receptor 0.0033 0.3494 0.1935
Brugia malayi hypothetical protein 0.0033 0.3494 0.5239
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.1933 0.0661
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.1933 0.1404
Loa Loa (eye worm) hypothetical protein 0.0033 0.3494 0.6433
Brugia malayi hypothetical protein 0.0033 0.3494 0.5239
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0033 0.3494 0.1935
Echinococcus granulosus neuropeptide receptor 0.0033 0.3494 0.1935
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0033 0.3494 0.5239

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-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) 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) 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) 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
AC50 (functional) = 1.584893192 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
Potency (functional) 0.0028 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 3.1623 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) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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 (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-7. (Class of assay: confirmatory) 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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