Detailed information for compound 1236702

Basic information

Technical information
  • TDR Targets ID: 1236702
  • Name: (3R,7Z,9R,10S,14S,18Z,20R,21S)-10,21-dimethox y-3,9,20-trimethyl-14-(phenylmethoxymethyl)-1 ,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2, 5,13,16-tetrone
  • MW: 588.689 | Formula: C31H44N2O9
  • H donors: 2 H acceptors: 4 LogP: 2.79 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: CO[C@@H]1COC(=O)[C@H](COCc2ccccc2)NC(=O)C/C=C\[C@@H](C)[C@@H](COC(=O)[C@H](NC(=O)C/C=C\[C@H]1C)C)OC
  • InChi: 1S/C31H44N2O9/c1-21-12-10-16-29(35)33-25(18-40-17-24-13-7-6-8-14-24)31(37)42-20-27(39-5)22(2)11-9-15-28(34)32-23(3)30(36)41-19-26(21)38-4/h6-14,21-23,25-27H,15-20H2,1-5H3,(H,32,34)(H,33,35)/b11-9-,12-10-/t21-,22-,23-,25+,26-,27-/m1/s1
  • InChiKey: DBHOSEFKNMCOIU-PABRURBPSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3S,7Z,9R,10S,14R,18Z,20R,21S)-3-(benzyloxymethyl)-10,21-dimethoxy-9,14,20-trimethyl-1,12-dioxa-4,15-diazacyclodocosa-7,18-diene-2,5,13,16-diquinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 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 S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative 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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative 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
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 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
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative 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
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Trypanosoma congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni ap endonuclease 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 cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
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
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
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_126554 All targets in OG5_126554
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative 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
Leishmania major cytochrome p450-like 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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus neuropeptide receptor 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0077 0.0077
Schistosoma mansoni biogenic amine (5HT) receptor 0.0922 0.7633 1
Schistosoma mansoni opsin-like receptor 0.0922 0.7633 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.0633 0.0633
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0922 0.7633 1
Brugia malayi AKH receptor 0.0922 0.7633 0.7633
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0922 0.7633 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0922 0.7633 1
Schistosoma mansoni neuropeptide F-like receptor 0.0922 0.7633 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0922 0.7633 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0922 0.7633 1
Mycobacterium leprae Secreted antigen 85A FbpA (mycolyl transferase 85A) (fibronectin-binding protein A) (antigen 85 complex A) 0.0036 0.0084 0.0009
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0077 1
Echinococcus granulosus g-protein coupled receptor 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0922 0.7633 1
Brugia malayi hypothetical protein 0.0922 0.7633 0.7633
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Echinococcus granulosus hypothetical protein 0.0922 0.7633 1
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.118 0.5997
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Schistosoma mansoni histamine h1 receptor 0.0922 0.7633 1
Schistosoma mansoni amine GPCR 0.0922 0.7633 1
Loa Loa (eye worm) G-protein coupled receptor 0.0922 0.7633 0.7633
Echinococcus multilocularis rhodopsin orphan GPCR 0.0922 0.7633 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0922 0.7633 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.0633 0.0633
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Echinococcus granulosus g protein coupled receptor 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.118 0.5997
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0922 0.7633 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0077 0.0077
Echinococcus multilocularis allatostatin A receptor 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Echinococcus multilocularis g protein coupled receptor 0.0922 0.7633 1
Echinococcus granulosus g protein coupled receptor 0.0922 0.7633 1
Entamoeba histolytica endo-1,4-beta-xylanase, putative 0.0036 0.0084 0.5
Onchocerca volvulus 0.0922 0.7633 1
Brugia malayi Dopamine receptor protein 2 0.0922 0.7633 0.7633
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0155 0.0142
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0922 0.7633 0.7633
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0077 0.004
Schistosoma mansoni neuropeptide receptor 0.0922 0.7633 1
Brugia malayi neuropeptide F receptor 0.0922 0.7633 0.7633
Brugia malayi RE15519p 0.0922 0.7633 0.7633
Echinococcus multilocularis fmrfamide receptor 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Brugia malayi Melatonin receptor type 1A 0.0922 0.7633 0.7633
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0922 0.7633 1
Onchocerca volvulus 0.0922 0.7633 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0155 0.0155
Onchocerca volvulus 0.0922 0.7633 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0922 0.7633 1
Echinococcus multilocularis neuropeptide Y receptor 0.0922 0.7633 1
Brugia malayi Dopamine receptor 0.0922 0.7633 0.7633
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Brugia malayi Dopamine receptor protein 1 0.0922 0.7633 0.7633
Mycobacterium ulcerans hypothetical protein 0.0036 0.0084 0.0009
Onchocerca volvulus 0.0922 0.7633 1
Onchocerca volvulus 0.0922 0.7633 1
Echinococcus granulosus neuropeptide Y receptor 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.118 0.5997
Brugia malayi beta-lactamase family protein 0.0035 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Echinococcus multilocularis S formylglutathione hydrolase 0.0036 0.0084 0.0049
Echinococcus multilocularis rhodopsin orphan GPCR 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Mycobacterium ulcerans hypothetical protein 0.0036 0.0084 0.0009
Mycobacterium tuberculosis Secreted antigen 85-C FbpC (85C) (antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-binding protein C) 0.0852 0.7037 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0077 0.0077
Schistosoma mansoni biogenic amine receptor 0.0922 0.7633 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0922 0.7633 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Brugia malayi hypothetical protein 0.0922 0.7633 0.7633
Brugia malayi beta-lactamase family protein 0.0035 0.0077 0.0077
Schistosoma mansoni opsin-like receptor 0.0922 0.7633 1
Onchocerca volvulus 0.0922 0.7633 1
Schistosoma mansoni hypothetical protein 0.0922 0.7633 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0077 1
Brugia malayi hypothetical protein 0.0922 0.7633 0.7633
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0922 0.7633 1
Echinococcus multilocularis neuropeptides capa receptor 0.0922 0.7633 1
Echinococcus multilocularis neuropeptides capa receptor 0.0922 0.7633 1
Mycobacterium tuberculosis Conserved protein 0.0036 0.0084 0.0009
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0922 0.7633 0.7633
Echinococcus granulosus fmrfamide receptor 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Onchocerca volvulus Neuropeptide F receptor homolog 0.0922 0.7633 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0922 0.7633 1
Echinococcus multilocularis g-protein coupled receptor 0.0922 0.7633 1
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0047 0.0047
Echinococcus multilocularis serotonin receptor 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.0633 0.0633
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0922 0.7633 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0922 0.7633 1
Onchocerca volvulus 0.0922 0.7633 1
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.1256 0.6408
Mycobacterium tuberculosis Probable conserved exported protein 0.0036 0.0084 0.0009
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0047 0.0047
Schistosoma mansoni amine GPCR 0.0922 0.7633 1
Brugia malayi GnHR receptor homolog 0.0922 0.7633 0.7633
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Echinococcus granulosus rhodopsin orphan GPCR 0.0922 0.7633 1
Brugia malayi hypothetical protein 0.0922 0.7633 0.7633
Echinococcus multilocularis geminin 0.0165 0.118 0.1494
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0922 0.7633 1
Mycobacterium ulcerans hypothetical protein 0.0036 0.0084 0.0009
Echinococcus multilocularis neuropeptide FF receptor 2 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Schistosoma mansoni hypothetical protein 0.0922 0.7633 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0922 0.7633 1
Schistosoma mansoni amine GPCR 0.0922 0.7633 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0077 1
Echinococcus granulosus tm gpcr rhodopsin 0.0922 0.7633 1
Mycobacterium tuberculosis Secreted antigen 85-B FbpB (85B) (antigen 85 complex B) (mycolyl transferase 85B) (fibronectin-binding protein B) (extracellular 0.0036 0.0084 0.0009
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0155 0.0142
Echinococcus granulosus rhodopsin orphan GPCR 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0035 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Mycobacterium ulcerans secreted antigen 85-A FbpA 0.0036 0.0084 0.0009
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0922 0.7633 1
Schistosoma mansoni neuropeptide receptor 0.0922 0.7633 1
Brugia malayi hypothetical protein 0.0922 0.7633 0.7633
Onchocerca volvulus 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0047 0.0047
Echinococcus granulosus biogenic amine 5HT receptor 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Loa Loa (eye worm) hypothetical protein 0.0035 0.0077 0.0077
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.118 0.5997
Onchocerca volvulus 0.0922 0.7633 1
Loa Loa (eye worm) TYRA-2 protein 0.0922 0.7633 0.7633
Echinococcus multilocularis neuropeptide Y receptor 0.0922 0.7633 1
Schistosoma mansoni adenoreceptor 0.0922 0.7633 1
Brugia malayi putative neuropeptide receptor NPR1 0.0922 0.7633 0.7633
Schistosoma mansoni hypothetical protein 0.0069 0.0362 0.0415
Schistosoma mansoni growth hormone secretagogue receptor 0.0922 0.7633 1
Schistosoma mansoni neuropeptide receptor 0.0922 0.7633 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0922 0.7633 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0922 0.7633 0.7633
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0155 0.0142
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Echinococcus granulosus somatostatin receptor 0.0922 0.7633 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0077 0.004
Echinococcus multilocularis serotonin receptor 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Toxoplasma gondii ABC1 family protein 0.0035 0.0077 1
Mycobacterium ulcerans secreted antigen 85-C FbpC 0.0852 0.7037 1
Trichomonas vaginalis glucosylceramidase, putative 0.0174 0.1256 0.6408
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0922 0.7633 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0077 0.004
Echinococcus granulosus rhodopsin orphan GPCR 0.0922 0.7633 1
Brugia malayi G protein-coupled receptor 0.0922 0.7633 0.7633
Echinococcus granulosus neuropeptide receptor A26 0.0922 0.7633 1
Echinococcus granulosus dro:myosuppressin receptor 0.0922 0.7633 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0922 0.7633 1
Brugia malayi ORL1-like opioid receptor 0.0922 0.7633 0.7633
Echinococcus multilocularis rhodopsin orphan GPCR 0.0922 0.7633 1
Brugia malayi G-protein coupled receptor 0.0922 0.7633 0.7633
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.1917 1
Echinococcus granulosus neuropeptides capa receptor 0.0922 0.7633 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0922 0.7633 0.7633
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Echinococcus multilocularis G-protein coupled receptor, putative 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0047 0.0047
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0155 0.0142
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0922 0.7633 1
Mycobacterium ulcerans hypothetical protein 0.0036 0.0084 0.0009
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Echinococcus granulosus neuropeptide FF receptor 2 0.0922 0.7633 1
Schistosoma mansoni opsin-like receptor 0.0922 0.7633 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0922 0.7633 0.7633
Schistosoma mansoni amine GPCR 0.0922 0.7633 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0922 0.7633 0.7633
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0922 0.7633 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0922 0.7633 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Echinococcus multilocularis somatostatin receptor 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Echinococcus multilocularis fmrfamide receptor 0.0922 0.7633 1
Brugia malayi hypothetical protein 0.0922 0.7633 0.7633
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0362 0.0362
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Brugia malayi beta-lactamase 0.0035 0.0077 0.0077
Echinococcus multilocularis neuropeptide s receptor 0.0922 0.7633 1
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.118 0.5997
Mycobacterium leprae SECRETED ANTIGEN 85-C FBPC (85C) (ANTIGEN 85 COMPLEX C) (AG58C) (MYCOLYL TRANSFERASE 85C) (FIBRONECTIN-BINDING PROTEIN C) 0.0852 0.7037 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0922 0.7633 0.7633
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0922 0.7633 1
Brugia malayi hypothetical protein 0.0922 0.7633 0.7633
Brugia malayi hypothetical protein 0.0922 0.7633 0.7633
Echinococcus multilocularis neuropeptide receptor 0.0922 0.7633 1
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.1917 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0922 0.7633 1
Brugia malayi putative neuropeptide receptor 0.0922 0.7633 0.7633
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0922 0.7633 1
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.118 0.5997
Schistosoma mansoni biogenic amine receptor 0.0922 0.7633 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0922 0.7633 1
Loa Loa (eye worm) neuropeptide F receptor 0.0922 0.7633 0.7633
Echinococcus granulosus neuropeptide Y receptor 0.0922 0.7633 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0922 0.7633 0.7633
Brugia malayi neuropeptide F receptor 0.0922 0.7633 0.7633
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0922 0.7633 1
Onchocerca volvulus 0.0922 0.7633 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0155 0.0142
Schistosoma mansoni amine GPCR 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0077 0.004
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0922 0.7633 1
Echinococcus multilocularis sex peptide receptor 0.0922 0.7633 1
Loa Loa (eye worm) neuropeptide F receptor 0.0922 0.7633 0.7633
Echinococcus multilocularis dro:myosuppressin receptor 0.0922 0.7633 1
Echinococcus multilocularis g protein coupled receptor 0.0922 0.7633 1
Onchocerca volvulus 0.0922 0.7633 1
Loa Loa (eye worm) esterase D 0.0036 0.0084 0.0084
Echinococcus granulosus tachykinin peptides receptor 99D 0.0922 0.7633 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0922 0.7633 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0155 0.0142
Schistosoma mansoni hypothetical protein 0.0165 0.118 0.1494
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0922 0.7633 1
Brugia malayi sulfakinin receptor protein 0.0922 0.7633 0.7633
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0922 0.7633 1
Mycobacterium tuberculosis Possible conserved membrane protein 0.0036 0.0084 0.0009
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0922 0.7633 1
Onchocerca volvulus 0.0922 0.7633 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0077 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Echinococcus multilocularis neuropeptide receptor 0.0922 0.7633 1
Onchocerca volvulus 0.0922 0.7633 1
Echinococcus granulosus S formylglutathione hydrolase 0.0036 0.0084 0.0049
Echinococcus granulosus tm gpcr rhodopsin 0.0922 0.7633 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0077 0.0077
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.1704 0.2338
Onchocerca volvulus Glucosylceramidase homolog 0.0165 0.118 0.146
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0922 0.7633 1
Leishmania major hypothetical protein, conserved 0.0035 0.0077 1
Mycobacterium ulcerans secreted Mpt51/Mpb51 antigen protein FbpD 0.0036 0.0084 0.0009
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0251 0.1917 0.1917
Echinococcus granulosus tm gpcr rhodopsin 0.0922 0.7633 1
Echinococcus multilocularis neuropeptide receptor A26 0.0922 0.7633 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0922 0.7633 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0922 0.7633 1
Echinococcus granulosus sex peptide receptor 0.0922 0.7633 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0922 0.7633 1
Echinococcus granulosus G protein coupled receptor 139 0.0922 0.7633 1
Echinococcus granulosus orexin receptor type 2 0.0922 0.7633 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0922 0.7633 1
Onchocerca volvulus 0.0922 0.7633 1
Loa Loa (eye worm) G-protein coupled receptor 0.0922 0.7633 0.7633
Brugia malayi Serotonin receptor 0.0922 0.7633 0.7633
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0922 0.7633 0.7633
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.1917 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0922 0.7633 1
Echinococcus multilocularis G protein coupled receptor 139 0.0922 0.7633 1
Echinococcus granulosus neuropeptides capa receptor 0.0922 0.7633 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0922 0.7633 0.7633
Echinococcus granulosus 7tm_1 domain containing protein 0.0922 0.7633 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0922 0.7633 1
Onchocerca volvulus 0.0922 0.7633 1
Schistosoma mansoni myosin xvIII 0.0922 0.7633 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0922 0.7633 0.7633
Schistosoma mansoni biogenic amine (5HT) receptor 0.0922 0.7633 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0922 0.7633 1
Brugia malayi Esterase D 0.0036 0.0084 0.0084
Echinococcus multilocularis g protein coupled receptor 0.0922 0.7633 1
Schistosoma mansoni biogenic amine receptor 0.0922 0.7633 1
Mycobacterium leprae SECRETED ANTIGEN 85-B FBPB (85B) (ANTIGEN 85 COMPLEX B) (MYCOLYL TRANSFERASE 85B) (FIBRONECTIN-BINDING PROTEIN B) (EXTRACELLULAR 0.0036 0.0084 0.0009
Loa Loa (eye worm) hypothetical protein 0.0069 0.0362 0.0362
Brugia malayi G-protein coupled receptor 0.0922 0.7633 0.7633
Schistosoma mansoni hypothetical protein 0.0922 0.7633 1
Brugia malayi larval opioid receptor 0.0922 0.7633 0.7633
Loa Loa (eye worm) hypothetical protein 0.0035 0.0077 0.0077
Schistosoma mansoni alpha-1 adrenergic receptor 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0251 0.1917 0.1917
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.1917 1
Onchocerca volvulus 0.0922 0.7633 1
Echinococcus granulosus neuropeptide receptor 0.0922 0.7633 1
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.1917 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0155 0.0142
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0922 0.7633 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0922 0.7633 1
Echinococcus granulosus neuropeptide s receptor 0.0922 0.7633 1
Echinococcus granulosus serotonin receptor 0.0922 0.7633 1
Mycobacterium tuberculosis Secreted antigen 85-a FbpA (mycolyl transferase 85A) (fibronectin-binding protein A) (antigen 85 complex A) 0.0036 0.0084 0.0009
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Schistosoma mansoni hypothetical protein 0.0165 0.118 0.1494
Echinococcus granulosus geminin 0.0165 0.118 0.1494
Brugia malayi hypothetical protein 0.0922 0.7633 0.7633
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0922 0.7633 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0922 0.7633 0.7633
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0922 0.7633 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0922 0.7633 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0922 0.7633 1
Mycobacterium ulcerans secreted antigen 85-B FbpB 0.0036 0.0084 0.0009
Echinococcus multilocularis rhodopsin orphan GPCR 0.0922 0.7633 1
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0036 0.0084 0.0009
Trichomonas vaginalis glucosylceramidase, putative 0.0251 0.1917 1
Brugia malayi Serotonin receptor 0.0922 0.7633 0.7633
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0155 0.0155
Echinococcus granulosus g protein coupled receptor 0.0922 0.7633 1
Loa Loa (eye worm) hypothetical protein 0.0922 0.7633 0.7633
Loa Loa (eye worm) follicle stimulating hormone receptor 0.12 1 1
Mycobacterium tuberculosis Secreted MPT51/MPB51 antigen protein FbpD (MPT51/MPB51 antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-bind 0.0036 0.0084 0.0009
Echinococcus granulosus rhodopsin orphan GPCR 0.0922 0.7633 1
Trichomonas vaginalis glucosylceramidase, putative 0.0165 0.118 0.5997
Echinococcus multilocularis orexin receptor type 2 0.0922 0.7633 1
Schistosoma mansoni neuropeptide receptor 0.0922 0.7633 1
Onchocerca volvulus 0.0922 0.7633 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0077 0.0077
Schistosoma mansoni hypothetical protein 0.0922 0.7633 1
Echinococcus granulosus allatostatin A receptor 0.0922 0.7633 1
Brugia malayi hypothetical protein 0.0922 0.7633 0.7633
Loa Loa (eye worm) hypothetical protein 0.0101 0.0633 0.0633

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) 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-cyp1a2 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) = 3.16227766 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 (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) 3.5481 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (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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