Detailed information for compound 974488

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 485.571 | Formula: C30H31NO5
  • H donors: 0 H acceptors: 2 LogP: 4.52 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@]4(CCC1=O)OC(=O)/C=C/c1ccccc1)CC1CC1
  • InChi: 1S/C30H31NO5/c1-34-23-11-10-21-17-24-30(36-25(33)12-9-19-5-3-2-4-6-19)14-13-22(32)28-29(30,26(21)27(23)35-28)15-16-31(24)18-20-7-8-20/h2-6,9-12,20,24,28H,7-8,13-18H2,1H3/b12-9+/t24-,28+,29+,30-/m1/s1
  • InChiKey: WGDLNMCFJZEUHA-ATTGEPADSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens opioid receptor, mu 1 Starlite/ChEMBL References
Homo sapiens opioid receptor, kappa 1 Starlite/ChEMBL References
Homo sapiens opioid receptor, delta 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus tm gpcr rhodopsin Get druggable targets OG5_139759 All targets in OG5_139759
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily Get druggable targets OG5_139759 All targets in OG5_139759

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0015 0.0004 0.0004
Echinococcus granulosus chromobox protein 1 0.0073 0.008 0.008
Brugia malayi Protein kinase domain containing protein 0.0015 0.0004 0.0004
Echinococcus multilocularis g-protein coupled receptor 0.0015 0.0004 0.0004
Brugia malayi hypothetical protein 0.0015 0.0004 0.0004
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.1519 0.1976 0.1976
Echinococcus granulosus biogenic amine 5HT receptor 0.0015 0.0004 0.0004
Mycobacterium ulcerans endonuclease IV 0.008 0.0089 0.0088
Mycobacterium leprae PROBABLE GLUTAMINE-DEPENDENT NAD(+) SYNTHETASE NADE (NAD(+) SYNTHASE [GLUTAMINE-HYDROLYSING]) 0.0086 0.0097 0.0085
Echinococcus granulosus 7tm_1 domain containing protein 0.0015 0.0004 0.0004
Mycobacterium ulcerans hypothetical protein 0.0021 0.0012 0.0011
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0015 0.0004 0.0004
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0015 0.0004 0.0004
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0063 0.0067 0.0067
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0015 0.0004 0.0004
Echinococcus multilocularis neuropeptide FF receptor 2 0.0015 0.0004 0.0004
Echinococcus granulosus dihydrofolate reductase 0.7639 1 1
Leishmania major NAD synthase, putative 0.0086 0.0097 0.0131
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0015 0.0004 0.0004
Echinococcus granulosus 7TM GPCR rhodopsin 0.0015 0.0004 0.0004
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0012 0.0000000000049767 0.0000000000067943
Echinococcus granulosus Chromo domain 0.0012 0.0000000000049767 0.0000000000049767
Brugia malayi Dopamine receptor protein 2 0.0015 0.0004 0.0004
Echinococcus granulosus rhodopsin orphan GPCR 0.0015 0.0004 0.0004
Brugia malayi Tachykinin-like peptides receptor 99D 0.0015 0.0004 0.0004
Schistosoma mansoni opsin-like receptor 0.0015 0.0004 0.0004
Echinococcus granulosus neuropeptide s receptor 0.0015 0.0004 0.0004
Schistosoma mansoni growth hormone secretagogue receptor 0.0015 0.0004 0.0004
Onchocerca volvulus 0.0248 0.0309 0.1564
Plasmodium vivax hypothetical protein, conserved 0.0012 0.0000000000049767 0.0000000000067943
Schistosoma mansoni amine GPCR 0.0015 0.0004 0.0004
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0077 0.0085 0.0085
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0014 0.0014
Schistosoma mansoni opsin-like receptor 0.0015 0.0004 0.0004
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.5598 0.7325 1
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0015 0.0004 0.0004
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0015 0.0004 0.0004
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0025 0.0025
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0000000000049767 0.000000000053394
Echinococcus multilocularis thymidylate synthase 0.1519 0.1976 0.1976
Echinococcus granulosus GMP synthase glutamine hydrolyzing 0.0034 0.0029 0.0029
Echinococcus multilocularis neuropeptides capa receptor 0.0015 0.0004 0.0004
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0015 0.0004 0.0004
Brugia malayi G protein-coupled receptor F59B2.13 0.0015 0.0004 0.0004
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0015 0.0004 0.0004
Onchocerca volvulus 0.0015 0.0004 0.0022
Onchocerca volvulus 0.0015 0.0004 0.0022
Schistosoma mansoni ankyrin 23/unc44 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Echinococcus granulosus neuropeptide receptor 0.0015 0.0004 0.0004
Onchocerca volvulus 0.0015 0.0004 0.0022
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.0004 0.0004
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.1519 0.1976 0.1967
Echinococcus granulosus neuropeptide receptor A26 0.0015 0.0004 0.0004
Echinococcus granulosus tm gpcr rhodopsin 0.0015 0.0004 0.0004
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0015 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0021 0.0012 0.0012
Brugia malayi Cytochrome P450 family protein 0.0013 0.0001 0.0001
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Schistosoma mansoni hypothetical protein 0.0015 0.0004 0.0004
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0015 0.0004 0.0004
Echinococcus multilocularis neuropeptide s receptor 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0012 0.0000000000049767 0.0000000000049767
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0000000000049767 0.000000000053394
Schistosoma mansoni biogenic amine (5HT) receptor 0.0015 0.0004 0.0004
Schistosoma mansoni dihydrofolate reductase 0.7639 1 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0015 0.0004 0.0004
Onchocerca volvulus 0.0049 0.0048 0.0244
Brugia malayi RE15519p 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Leishmania major pteridine reductase 1 0.021 0.0259 0.0353
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.5598 0.7325 1
Echinococcus multilocularis somatostatin receptor 0.0015 0.0004 0.0004
Schistosoma mansoni hypothetical protein 0.0015 0.0004 0.0004
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0015 0.0004 0.0022
Loa Loa (eye worm) neuropeptide F receptor 0.0015 0.0004 0.0004
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0015 0.0004 0.0004
Echinococcus multilocularis neuropeptide receptor A26 0.0015 0.0004 0.0004
Echinococcus granulosus chromobox protein 1 0.0073 0.008 0.008
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0042 0.045
Brugia malayi neuropeptide F receptor 0.0015 0.0004 0.0004
Brugia malayi Death domain containing protein 0.0015 0.0004 0.0004
Echinococcus multilocularis rhodopsin orphan GPCR 0.0015 0.0004 0.0004
Brugia malayi Pre-SET motif family protein 0.0217 0.027 0.027
Toxoplasma gondii endonuclease IV APN 0.008 0.0089 0.0122
Toxoplasma gondii glutamine-dependent NAD(+) synthetase protein, putative 0.0086 0.0097 0.0132
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Schistosoma mansoni adenoreceptor 0.0015 0.0004 0.0004
Entamoeba histolytica NAD synthetase, putative 0.0086 0.0097 1
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0012 0.0000000000049767 0.0000000000049767
Echinococcus granulosus neuropeptide receptor 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0031 0.0025 0.0025
Onchocerca volvulus 0.0012 0.0000000028555 0.000000014447
Loa Loa (eye worm) heterochromatin protein 1 0.0073 0.008 0.008
Schistosoma mansoni alpha-1 adrenergic receptor 0.0015 0.0004 0.0004
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0015 0.0004 0.0004
Echinococcus multilocularis rhodopsin orphan GPCR 0.0015 0.0004 0.0004
Brugia malayi GnHR receptor homolog 0.0015 0.0004 0.0004
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.0067 0.0067
Trypanosoma brucei GMP synthase [glutamine-hydrolysing] 0.0034 0.0029 0.0038
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Brugia malayi Hypothetical 29.7 kDa protein C05D11.5 in chromosome III 0.0021 0.0012 0.0012
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0015 0.0004 0.0004
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0038 0.0406
Schistosoma mansoni biogenic amine receptor 0.0015 0.0004 0.0004
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0025 0.0025
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0038 0.0406
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0015 0.0004 0.0004
Echinococcus multilocularis g protein coupled receptor 0.0015 0.0004 0.0004
Schistosoma mansoni hypothetical protein 0.0348 0.0441 0.0441
Brugia malayi putative neuropeptide receptor NPR1 0.0015 0.0004 0.0004
Loa Loa (eye worm) G-protein coupled receptor 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0000000000049767 0.000000000053394
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Echinococcus multilocularis serotonin receptor 0.0015 0.0004 0.0004
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0015 0.0004 0.0004
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Brugia malayi hypothetical protein 0.0015 0.0004 0.0004
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0063 0.0067 0.0089
Onchocerca volvulus 0.0015 0.0005 0.0023
Echinococcus granulosus g protein coupled receptor 0.0015 0.0004 0.0004
Trypanosoma brucei NAD+ synthase, putative 0.0086 0.0097 0.0131
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Brugia malayi G protein-coupled receptor 0.0015 0.0004 0.0004
Schistosoma mansoni amine GPCR 0.0015 0.0004 0.0004
Trypanosoma brucei oxidoreductase-like protein 0.0015 0.0005 0.0005
Echinococcus multilocularis orexin receptor type 2 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0041 0.0038 0.0038
Brugia malayi Melatonin receptor type 1A 0.0015 0.0004 0.0004
Echinococcus granulosus netrin receptor unc 5 0.0015 0.0004 0.0004
Onchocerca volvulus 0.0015 0.0004 0.0022
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0723 0.0932 0.1271
Onchocerca volvulus Netrin receptor homolog 0.0015 0.0004 0.0021
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Plasmodium vivax apurinic/apyrimidinic endonuclease Apn1, putative 0.008 0.0089 0.0122
Schistosoma mansoni glutamine-dependent NAD(+) synthetase 0.0086 0.0097 0.0097
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0015 0.0004 0.0004
Brugia malayi hypothetical protein 0.0015 0.0004 0.0004
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0038 0.0192
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Onchocerca volvulus Neuropeptide F receptor homolog 0.0015 0.0004 0.0022
Onchocerca volvulus 0.0015 0.0004 0.0022
Onchocerca volvulus 0.1519 0.1976 1
Echinococcus granulosus neuropeptides capa receptor 0.0015 0.0004 0.0004
Brugia malayi hypothetical protein 0.0238 0.0297 0.0297
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0000000000049767 0.000000000053394
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0025 0.0025
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.001 0.0014
Treponema pallidum NAD synthetase 0.0086 0.0097 0.5
Echinococcus multilocularis fmrfamide receptor 0.0015 0.0004 0.0004
Brugia malayi hypothetical protein 0.0015 0.0004 0.0004
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0015 0.0004 0.0004
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0001 0.0001
Echinococcus multilocularis rhodopsin orphan GPCR 0.0015 0.0004 0.0004
Echinococcus granulosus rhodopsin orphan GPCR 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Onchocerca volvulus 0.0015 0.0004 0.0022
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.5598 0.7325 1
Echinococcus granulosus survival motor neuron protein 1 0.0238 0.0297 0.0297
Echinococcus granulosus thymidylate synthase 0.1519 0.1976 0.1976
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.7639 1 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0015 0.0004 0.0004
Onchocerca volvulus 0.0015 0.0004 0.0022
Trypanosoma cruzi NAD+ synthase, putative 0.0086 0.0097 0.0131
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Loa Loa (eye worm) CYP4Cod1 0.0013 0.0001 0.0001
Loa Loa (eye worm) RecQ helicase 0.0022 0.0014 0.0014
Echinococcus granulosus peptide allatostatin:somatostatin 0.0015 0.0004 0.0004
Echinococcus granulosus bloom syndrome protein 0.0022 0.0014 0.0014
Echinococcus multilocularis Chromo domain 0.0012 0.0000000000049767 0.0000000000049767
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0018 0.0008 0.0008
Toxoplasma gondii bifunctional GMP synthase/glutamine amidotransferase protein 0.0034 0.0029 0.004
Schistosoma mansoni hypothetical protein 0.0015 0.0004 0.0004
Echinococcus multilocularis neuropeptides capa receptor 0.0015 0.0004 0.0004
Echinococcus granulosus rhodopsin orphan GPCR 0.0015 0.0004 0.0004
Brugia malayi Serotonin receptor 0.0015 0.0004 0.0004
Schistosoma mansoni neuropeptide F-like receptor 0.0015 0.0004 0.0004
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0012 0.0000000000049767 0.0000000000049767
Brugia malayi AKH receptor 0.0015 0.0004 0.0004
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0015 0.0004 0.0004
Onchocerca volvulus 0.0015 0.0004 0.0022
Onchocerca volvulus 0.0043 0.0041 0.0207
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0015 0.0004 0.0004
Leishmania major oxidoreductase-like protein 0.0015 0.0005 0.0005
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.0067 0.0067
Echinococcus granulosus nuclear factor of activated T cells 5 0.0077 0.0085 0.0085
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0015 0.0004 0.0004
Brugia malayi Uncoordinated protein 44 0.0015 0.0004 0.0004
Brugia malayi larval opioid receptor 0.0015 0.0004 0.0004
Echinococcus multilocularis rhodopsin orphan GPCR 0.0015 0.0004 0.0004
Trichomonas vaginalis set domain proteins, putative 0.0248 0.0309 0.3315
Brugia malayi Pre-SET motif family protein 0.0031 0.0025 0.0025
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0015 0.0004 0.0004
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0015 0.0004 0.0004
Echinococcus granulosus tm gpcr rhodopsin 0.0015 0.0004 0.0004
Echinococcus granulosus fmrfamide receptor 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0034 0.0029 0.0029
Echinococcus multilocularis neuropeptide receptor 0.0015 0.0004 0.0004
Trichomonas vaginalis nh(3)-dependent NAD(+) synthetase, putative 0.0086 0.0097 0.104
Loa Loa (eye worm) hypothetical protein 0.0032 0.0026 0.0026
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0000000000049767 0.00000000051351
Echinococcus multilocularis neuropeptide Y receptor 0.0015 0.0004 0.0004
Schistosoma mansoni biogenic amine receptor 0.0015 0.0004 0.0004
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0015 0.0004 0.0004
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0015 0.0004 0.0004
Echinococcus multilocularis survival motor neuron protein 1 0.0238 0.0297 0.0297
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0015 0.0004 0.0004
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0015 0.0005 0.0003
Loa Loa (eye worm) CHromoDomain protein family member 0.0012 0.0000000000049767 0.0000000000049767
Echinococcus granulosus sex peptide receptor 0.0015 0.0004 0.0004
Schistosoma mansoni glutamine-dependent NAD(+) synthetase 0.0052 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Echinococcus multilocularis rhodopsin orphan GPCR 0.0015 0.0004 0.0004
Echinococcus granulosus Ankyrin 0.0015 0.0004 0.0004
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.5598 0.7325 1
Schistosoma mansoni hypothetical protein 0.0012 0.0000000000049767 0.0000000000049767
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0043 0.0041 0.0041
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0015 0.0004 0.0004
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0014 0.0014
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.0007 0.0007
Echinococcus granulosus biogenic amine 5HT receptor 0.0015 0.0004 0.0004
Onchocerca volvulus 0.0015 0.0004 0.0022
Echinococcus granulosus neuropeptide Y receptor 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Plasmodium falciparum glutamine-dependent NAD(+) synthetase, putative 0.0086 0.0097 0.0132
Schistosoma mansoni hypothetical protein 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Brugia malayi sulfakinin receptor protein 0.0015 0.0004 0.0004
Onchocerca volvulus 0.0015 0.0004 0.0022
Brugia malayi Dihydrofolate reductase 0.7639 1 1
Brugia malayi Cytochrome P450 family protein 0.0013 0.0001 0.0001
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.1519 0.1976 0.1973
Echinococcus granulosus neuropeptide FF receptor 2 0.0015 0.0004 0.0004
Echinococcus multilocularis allatostatin A receptor 0.0015 0.0004 0.0004
Echinococcus granulosus Chromobox protein 3 0.0012 0.0000000028555 0.0000000028555
Giardia lamblia NH3-dependent NAD+ synthetase 0.0086 0.0097 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.7639 1 1
Echinococcus multilocularis chromobox protein 1 0.0073 0.008 0.008
Echinococcus granulosus G protein coupled receptor 139 0.0015 0.0004 0.0004
Trypanosoma cruzi NAD+ synthase, putative 0.0086 0.0097 0.0131
Echinococcus multilocularis neuropeptide receptor 0.0015 0.0004 0.0004
Schistosoma mansoni amine GPCR 0.0015 0.0004 0.0004
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0015 0.0004 0.0004
Loa Loa (eye worm) neuropeptide F receptor 0.0015 0.0004 0.0004
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.0067 0.0065
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0015 0.0005 0.0003
Brugia malayi hypothetical protein 0.0015 0.0004 0.0004
Onchocerca volvulus 0.0032 0.0026 0.0133
Trypanosoma brucei pteridine reductase 1 0.0203 0.0251 0.0341
Brugia malayi G-protein coupled receptor 0.0015 0.0004 0.0004
Onchocerca volvulus 0.0015 0.0004 0.0022
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0012 0.0000000000049767 0.0000000000049767
Echinococcus multilocularis g protein coupled receptor 0.0015 0.0004 0.0004
Plasmodium vivax glutamine-dependent NAD(+) synthetase, putative 0.0086 0.0097 0.0132
Echinococcus multilocularis g protein coupled receptor 0.0015 0.0004 0.0004
Brugia malayi Dopamine receptor protein 1 0.0015 0.0004 0.0004
Brugia malayi hypothetical protein 0.0015 0.0004 0.0004
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0015 0.0005 0.0003
Brugia malayi hypothetical protein 0.0723 0.0932 0.0932
Brugia malayi G-protein coupled receptor 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0000000000049767 0.000000000053394
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0015 0.0004 0.0004
Schistosoma mansoni netrin receptor unc5 0.0015 0.0004 0.0004
Mycobacterium ulcerans NAD synthetase 0.0086 0.0097 0.0096
Schistosoma mansoni neuropeptide receptor 0.0015 0.0004 0.0004
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0012 0.0000000000049767 0.0000000000049767
Brugia malayi hypothetical protein 0.0015 0.0004 0.0004
Schistosoma mansoni neuropeptide receptor 0.0015 0.0004 0.0004
Echinococcus granulosus tm gpcr rhodopsin 0.064 0.0824 0.0824
Echinococcus granulosus rhodopsin orphan GPCR 0.0015 0.0004 0.0004
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0025 0.0035
Chlamydia trachomatis dihydrofolate reductase 0.7639 1 1
Onchocerca volvulus 0.0015 0.0004 0.0022
Schistosoma mansoni neuropeptide receptor 0.0015 0.0004 0.0004
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0063 0.0067 0.0062
Echinococcus granulosus orexin receptor type 2 0.0015 0.0004 0.0004
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0015 0.0004 0.0004
Echinococcus granulosus rhodopsin orphan GPCR 0.0015 0.0004 0.0004
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0015 0.0004 0.0004
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0015 0.0004 0.0004
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0042 0.0212
Brugia malayi DNA-(Apurinic or apyrimidinic site) lyase 0.008 0.0089 0.0089
Echinococcus granulosus dro:myosuppressin receptor 0.0015 0.0004 0.0004
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0217 0.027 0.027
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0063 0.0067 0.0067
Mycobacterium ulcerans short chain dehydrogenase 0.0015 0.0005 0.0003
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Echinococcus granulosus neuropeptides capa receptor 0.0015 0.0004 0.0004
Brugia malayi chromobox protein homolog 3 0.0041 0.0038 0.0038
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.0067 0.0065
Brugia malayi hypothetical protein 0.0015 0.0004 0.0004
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0015 0.0004 0.0004
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0048 0.0048
Echinococcus multilocularis rhodopsin orphan GPCR 0.0015 0.0004 0.0004
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0015 0.0004 0.0004
Brugia malayi follicle stimulating hormone receptor 0.0256 0.032 0.032
Onchocerca volvulus 0.0015 0.0004 0.0022
Onchocerca volvulus Putative hydroxypyruvate isomerase 0.0021 0.0012 0.0061
Loa Loa (eye worm) hypothetical protein 0.0238 0.0297 0.0297
Echinococcus granulosus rhodopsin orphan GPCR 0.0015 0.0004 0.0004
Plasmodium falciparum apurinic/apyrimidinic endonuclease Apn1, putative 0.008 0.0089 0.0122
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0012 0.0000000000049767 0.0000000000049767
Brugia malayi Associated with TFs and helicases family protein 0.0012 0.0000000000049767 0.0000000000049767
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0015 0.0004 0.0005
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0012 0.0000000000049767 0.0000000000049767
Echinococcus granulosus tachykinin peptides receptor 99D 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Mycobacterium ulcerans epimerase 0.0021 0.0012 0.0011
Echinococcus granulosus serotonin receptor 0.0015 0.0004 0.0004
Schistosoma mansoni chromobox protein 0.0073 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0015 0.0004 0.0004
Loa Loa (eye worm) melatonin receptor type 1A 0.0015 0.0004 0.0004
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0000000000049767 0.000000000053394
Onchocerca volvulus 0.0015 0.0004 0.0022
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0000000000049767 0.00000000051351
Echinococcus granulosus g protein coupled receptor 0.0015 0.0004 0.0004
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0001 0.0001
Schistosoma mansoni amine GPCR 0.0015 0.0004 0.0004
Schistosoma mansoni survival motor neuron protein 0.0049 0.0048 0.0048
Echinococcus multilocularis GMP synthase (glutamine hydrolyzing) 0.0034 0.0029 0.0029
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0042 0.045
Schistosoma mansoni neuropeptide receptor 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0012 0.0007
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.7639 1 1
Brugia malayi Heterochromatin protein 1 0.0073 0.008 0.008
Echinococcus multilocularis sex peptide receptor 0.0015 0.0004 0.0004
Echinococcus multilocularis G protein coupled receptor 139 0.0015 0.0004 0.0004
Mycobacterium tuberculosis Glutamine-dependent NAD(+) synthetase NadE (NAD(+) synthase [glutamine-hydrolysing]) 0.0086 0.0097 0.0092
Schistosoma mansoni neuropeptide F-like receptor 0.0015 0.0004 0.0004
Leishmania major dihydrofolate reductase-thymidylate synthase 0.5598 0.7325 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0015 0.0004 0.0004
Echinococcus granulosus neuropeptide Y receptor 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Schistosoma mansoni chromobox protein 0.0073 0.008 0.008
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0015 0.0004 0.0004
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0000000000049767 0.000000000053394
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.5598 0.7325 1
Mycobacterium tuberculosis Hypothetical protein 0.0723 0.0932 0.0928
Schistosoma mansoni biogenic amine (5HT) receptor 0.0015 0.0004 0.0004
Brugia malayi thymidylate synthase 0.1519 0.1976 0.1976
Echinococcus multilocularis neuropeptide Y receptor 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Echinococcus granulosus hypothetical protein 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Brugia malayi Dopamine receptor 0.0015 0.0004 0.0004
Onchocerca volvulus 0.0015 0.0004 0.0022
Mycobacterium tuberculosis Probable endonuclease IV End (endodeoxyribonuclease IV) (apurinase) 0.008 0.0089 0.0085
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0022 0.0239
Loa Loa (eye worm) dihydrofolate reductase 0.7639 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Brugia malayi putative neuropeptide receptor 0.0015 0.0004 0.0004
Echinococcus granulosus g protein coupled receptor 0.0015 0.0004 0.0004
Entamoeba histolytica hypothetical protein 0.0012 0.0000000000049767 0.00000000051351
Schistosoma mansoni hypothetical protein 0.0049 0.0048 0.0048
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0012 0.0000000000049767 0.0000000000067943
Schistosoma mansoni neuropeptide f receptor 76f 0.0015 0.0004 0.0004
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.064 0.0824 0.0824
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0015 0.0004 0.0004
Brugia malayi ORL1-like opioid receptor 0.0015 0.0004 0.0004
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0025 0.0025
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0024 0.0024
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0025 0.0025
Echinococcus multilocularis fmrfamide receptor 0.0015 0.0004 0.0004
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0069 0.0069
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0015 0.0004 0.0004
Echinococcus multilocularis chromobox protein 1 0.0073 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.008 0.0089 0.0089
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0015 0.0004 0.0004
Trichomonas vaginalis chromobox protein, putative 0.0073 0.008 0.0857
Brugia malayi hypothetical protein 0.0015 0.0004 0.0004
Echinococcus multilocularis netrin receptor unc 5 0.0015 0.0004 0.0004
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0025 0.0025
Echinococcus multilocularis geminin 0.0348 0.0441 0.0441
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0256 0.032 0.032
Echinococcus granulosus g-protein coupled receptor 0.0015 0.0004 0.0004
Echinococcus multilocularis Ankyrin 0.0015 0.0004 0.0004
Plasmodium falciparum GMP synthase [glutamine-hydrolyzing] 0.0034 0.0029 0.004
Onchocerca volvulus 0.0015 0.0004 0.0022
Mycobacterium leprae PROBABLE ENDONUCLEASE IV END (ENDODEOXYRIBONUCLEASE IV) (APURINASE) 0.008 0.0089 0.0077
Brugia malayi Serotonin receptor 0.0015 0.0004 0.0004
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0015 0.0004 0.0006
Trichomonas vaginalis chromobox protein, putative 0.0073 0.008 0.0857
Echinococcus granulosus alpha 1A adrenergic receptor 0.0015 0.0004 0.0004
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 0.0014 0.0146
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0000000000049767 0.000000000053394
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0000000000049767 0.000000000053394
Schistosoma mansoni biogenic amine receptor 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Leishmania major GMP synthase, putative,glutamine amidotransferase, putative 0.0034 0.0029 0.0038
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0000000000049767 0.000000000053394
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Echinococcus multilocularis Chromobox protein 3 0.0012 0.0000000028555 0.0000000028555
Schistosoma mansoni hypothetical protein 0.0348 0.0441 0.0441
Brugia malayi GMP synthase 0.0034 0.0029 0.0029
Onchocerca volvulus 0.0015 0.0004 0.0022
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0000000000049767 0.000000000053394
Trichomonas vaginalis conserved hypothetical protein 0.0723 0.0932 1
Echinococcus granulosus somatostatin receptor 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Loa Loa (eye worm) G-protein coupled receptor 0.0015 0.0004 0.0004
Schistosoma mansoni opsin-like receptor 0.0015 0.0004 0.0004
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0015 0.0004 0.0004
Echinococcus multilocularis rhodopsin orphan GPCR 0.0015 0.0004 0.0004
Mycobacterium ulcerans thymidylate synthase 0.1519 0.1976 0.1975
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Echinococcus multilocularis rhodopsin orphan GPCR 0.0015 0.0004 0.0004
Echinococcus multilocularis dihydrofolate reductase 0.7639 1 1
Loa Loa (eye worm) TYRA-2 protein 0.0015 0.0004 0.0004
Plasmodium vivax GMP synthetase, putative 0.0034 0.0029 0.004
Brugia malayi neuropeptide F receptor 0.0015 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Echinococcus granulosus rhodopsin orphan GPCR 0.0015 0.0004 0.0004
Echinococcus granulosus allatostatin A receptor 0.0015 0.0004 0.0004
Mycobacterium ulcerans sugar phosphate isomerases/epimerases 0.0021 0.0012 0.0011
Echinococcus multilocularis serotonin receptor 0.0015 0.0004 0.0004
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0012 0.0000000000049767 0.000000000053394
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0015 0.0005 0.0006
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Schistosoma mansoni hypothetical protein 0.0015 0.0004 0.0004
Mycobacterium ulcerans GMP synthase 0.0034 0.0029 0.0028
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0014 0.0146
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0000000000049767 0.00000000051351
Schistosoma mansoni myosin xvIII 0.0015 0.0004 0.0004
Brugia malayi hypothetical protein 0.0015 0.0004 0.0004
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0015 0.0004 0.0004
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0015 0.0004 0.0004
Echinococcus multilocularis dro:myosuppressin receptor 0.0015 0.0004 0.0004
Schistosoma mansoni amine GPCR 0.0015 0.0004 0.0004
Echinococcus granulosus death domain containing protein 0.0015 0.0004 0.0004
Schistosoma mansoni histamine h1 receptor 0.0015 0.0004 0.0004
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0012 0.0000000000049767 0.000000000053394
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0012 0.0000000000049767 0.0000000000049767
Loa Loa (eye worm) hypothetical protein 0.0015 0.0004 0.0004
Loa Loa (eye worm) thymidylate synthase 0.1519 0.1976 0.1976
Schistosoma mansoni GMP synthetase 0.0034 0.0029 0.0029
Plasmodium vivax SET domain protein, putative 0.0031 0.0025 0.0035
Brugia malayi SET domain containing protein 0.0013 0.0002 0.0002
Brugia malayi CHD4 protein 0.0012 0.0000000000049767 0.0000000000049767
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0022 0.0239
Echinococcus granulosus geminin 0.0348 0.0441 0.0441

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 35 % Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding relative to DAMGO ChEMBL. 19253983
Activity (functional) = 64 % Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding relative to DPDPE ChEMBL. 19253983
Activity (functional) = 76 % Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding relative to U69593 ChEMBL. 19253983
EC50 (functional) = 26 nM Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding ChEMBL. 19253983
EC50 (functional) = 34.4 nM Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding ChEMBL. 19253983
EC50 (functional) = 430 nM Agonist activity at human delta opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding ChEMBL. 19253983
Ki (binding) = 2.5 nM Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells ChEMBL. 19253983
Ki (binding) = 4.3 nM Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells ChEMBL. 19253983
Ki (binding) = 180 nM Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells ChEMBL. 19253983

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

1 literature reference was collected for this gene.

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