Detailed information for compound 1375934

Basic information

Technical information
  • TDR Targets ID: 1375934
  • Name: [2-[(8R,9R,10S,13R,14S,17S)-10,13-dimethyl-3- oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydro cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4 -bromobenzenesulfonate
  • MW: 549.517 | Formula: C27H33BrO5S
  • H donors: 0 H acceptors: 4 LogP: 5.7 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C1CC[C@@]2(C(=C1)CC[C@H]1[C@H]2CC[C@@]2([C@H]1CC[C@@H]2C(=O)COS(=O)(=O)c1ccc(cc1)Br)C)C
  • InChi: 1S/C27H33BrO5S/c1-26-13-11-19(29)15-17(26)3-8-21-22-9-10-24(27(22,2)14-12-23(21)26)25(30)16-33-34(31,32)20-6-4-18(28)5-7-20/h4-7,15,21-24H,3,8-14,16H2,1-2H3/t21-,22+,23-,24-,26-,27-/m1/s1
  • InChiKey: ZQNARVKYKGBJES-SQISJKOFSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-[(8R,9R,10S,13R,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 4-bromobenzenesulfonate
  • 4-bromobenzenesulfonic acid [2-[(8R,9R,10S,13R,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
  • 4-bromobenzenesulfonic acid [2-keto-2-[(8R,9R,10S,13R,14S,17S)-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethyl] ester
  • NCGC00013931
  • NSC-88915

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Candida albicans 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
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 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
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.193 0.2841
Brugia malayi Serotonin receptor 0.0073 0.2055 0.3058
Schistosoma mansoni alpha-1 adrenergic receptor 0.0073 0.2055 0.3058
Plasmodium vivax histone deacetylase, putative 0.0052 0.1323 0.1789
Echinococcus granulosus 7TM GPCR rhodopsin 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Schistosoma mansoni amine GPCR 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Wolbachia endosymbiont of Brugia malayi AICAR transformylase/IMP cyclohydrolase PurH 0.0293 1 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0073 0.2055 0.3058
Echinococcus multilocularis histone deacetylase 6 0.0052 0.1323 0.1789
Trypanosoma cruzi histone deacetylase 1, putative 0.0184 0.606 1
Schistosoma mansoni histone deacetylase 1 2 3 0.0052 0.1323 0.1789
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Echinococcus granulosus g protein coupled receptor 0.0073 0.2055 0.3058
Schistosoma mansoni histamine h1 receptor 0.0073 0.2055 0.3058
Echinococcus granulosus fmrfamide receptor 0.0073 0.2055 0.3058
Trichomonas vaginalis protein phosphatase 2C delta isoform, putative 0.014 0.4497 0.7361
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.2307 0.2076
Echinococcus granulosus biogenic amine 5HT receptor 0.0073 0.2055 0.3058
Echinococcus granulosus neuropeptide receptor 0.0073 0.2055 0.3058
Brugia malayi RE15519p 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0073 0.2055 0.3058
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.2307 0.3494
Brugia malayi Histone deacetylase family protein 0.0052 0.1323 0.1789
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.1836 0.2678
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0184 0.606 1
Trypanosoma brucei histone deacetylase 1 0.0184 0.606 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Echinococcus multilocularis orexin receptor type 2 0.0073 0.2055 0.3058
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2076 0.2076
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0073 0.2055 0.3058
Echinococcus multilocularis neuropeptide receptor A26 0.0073 0.2055 0.3058
Plasmodium falciparum histone deacetylase, putative 0.0052 0.1323 0.1789
Loa Loa (eye worm) neuropeptide F receptor 0.0073 0.2055 0.3058
Echinococcus granulosus hypothetical protein 0.0073 0.2055 0.3058
Brugia malayi putative neuropeptide receptor NPR1 0.0073 0.2055 0.3058
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2076 0.3094
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.2076 0.2417
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Mycobacterium tuberculosis Probable bifunctional purine biosynthesis protein PurH: phosphoribosylaminoimidazolecarboxamide formyltransferase (AICAR transfo 0.0293 1 1
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0038 0.0807 0.0679
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Brugia malayi hypothetical protein 0.0073 0.2055 0.3058
Echinococcus granulosus rhodopsin orphan GPCR 0.0073 0.2055 0.3058
Echinococcus granulosus rhodopsin orphan GPCR 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Schistosoma mansoni hypothetical protein 0.0073 0.2055 0.3058
Brugia malayi hypothetical protein 0.0073 0.2055 0.3058
Trichomonas vaginalis histone deacetylase, putative 0.0184 0.606 1
Echinococcus multilocularis fmrfamide receptor 0.0073 0.2055 0.3058
Schistosoma mansoni hypothetical protein 0.0073 0.2055 0.3058
Echinococcus multilocularis histone deacetylase 0.0052 0.1323 0.1789
Echinococcus multilocularis g protein coupled receptor 0.0073 0.2055 0.3058
Echinococcus granulosus neuropeptide s receptor 0.0073 0.2055 0.3058
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.193 0.193
Loa Loa (eye worm) hypothetical protein 0.0052 0.1323 0.1789
Trichomonas vaginalis histone deacetylase, putative 0.0184 0.606 1
Brugia malayi neuropeptide F receptor 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Onchocerca volvulus 0.0073 0.2055 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0073 0.2055 0.3058
Trichomonas vaginalis histone deacetylase, putative 0.0184 0.606 1
Brugia malayi hypothetical protein 0.0073 0.2055 0.3058
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.2307 0.2855
Loa Loa (eye worm) melatonin receptor type 1A 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0184 0.606 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0073 0.2055 0.3058
Echinococcus multilocularis rhodopsin orphan GPCR 0.0073 0.2055 0.3058
Loa Loa (eye worm) TYRA-2 protein 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Schistosoma mansoni neuropeptide receptor 0.0073 0.2055 0.3058
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0038 0.0807 0.0894
Echinococcus granulosus orexin receptor type 2 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Echinococcus granulosus 7tm_1 domain containing protein 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.193 0.2841
Echinococcus granulosus transcription factor Dp 1 0.0046 0.1096 0.1396
Schistosoma mansoni histone deacetylase 4 5 0.0052 0.1323 0.1789
Echinococcus multilocularis serotonin receptor 0.0073 0.2055 0.3058
Onchocerca volvulus 0.0073 0.2055 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0073 0.2055 0.3058
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0073 0.2055 0.3058
Echinococcus multilocularis rhodopsin orphan GPCR 0.0073 0.2055 0.3058
Echinococcus multilocularis G protein coupled receptor 139 0.0073 0.2055 0.3058
Toxoplasma gondii histone deacetylase HDAC5 0.0052 0.1323 0.0983
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.2076 0.2417
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0073 0.2055 0.3058
Brugia malayi Dopamine receptor 0.0073 0.2055 0.3058
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0073 0.2055 0.3058
Plasmodium vivax histone deacetylase, putative 0.0052 0.1323 0.1789
Plasmodium vivax histone deacetylase 1, putative 0.0184 0.606 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Echinococcus multilocularis fmrfamide receptor 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Echinococcus granulosus somatostatin receptor 0.0073 0.2055 0.3058
Schistosoma mansoni hypothetical protein 0.0073 0.2055 0.3058
Brugia malayi G protein-coupled receptor 0.0073 0.2055 0.3058
Brugia malayi histone deacetylase 11 0.0052 0.1323 0.1789
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0073 0.2055 0.3058
Loa Loa (eye worm) G-protein coupled receptor 0.0073 0.2055 0.3058
Brugia malayi AKH receptor 0.0073 0.2055 0.3058
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.2307 0.3494
Onchocerca volvulus 0.0073 0.2055 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Echinococcus granulosus G protein coupled receptor 139 0.0073 0.2055 0.3058
Echinococcus multilocularis histone deacetylase 3 0.0184 0.606 1
Schistosoma mansoni histone deacetylase 0.0184 0.606 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0073 0.2055 0.3058
Echinococcus multilocularis neuropeptides capa receptor 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Schistosoma mansoni amine GPCR 0.0073 0.2055 0.3058
Echinococcus granulosus histone deacetylase 6 0.0052 0.1323 0.1789
Plasmodium falciparum carbamoyl phosphate synthetase 0.0038 0.0807 0.0894
Onchocerca volvulus 0.0073 0.2055 1
Trichomonas vaginalis protein phosphatase type 2C, putative 0.014 0.4497 0.7361
Loa Loa (eye worm) histone deacetylase 3 0.0184 0.606 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0073 0.2055 0.3058
Schistosoma mansoni lipoxygenase 0.0067 0.1836 0.2678
Echinococcus granulosus serotonin receptor 0.0073 0.2055 0.3058
Echinococcus multilocularis somatostatin receptor 0.0073 0.2055 0.3058
Schistosoma mansoni biogenic amine receptor 0.0073 0.2055 0.3058
Schistosoma mansoni amine GPCR 0.0073 0.2055 0.3058
Brugia malayi ORL1-like opioid receptor 0.0073 0.2055 0.3058
Entamoeba histolytica leucine rich repeat / protein phosphatase 2C domain containing protein 0.014 0.4497 0.5836
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Echinococcus multilocularis rhodopsin orphan GPCR 0.0073 0.2055 0.3058
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0073 0.2055 0.3058
Schistosoma mansoni neuropeptide F-like receptor 0.0073 0.2055 0.3058
Plasmodium vivax histone deacetylase 2, putative 0.0052 0.1323 0.1789
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.2307 0.2076
Onchocerca volvulus 0.0073 0.2055 1
Echinococcus multilocularis neuropeptides capa receptor 0.0073 0.2055 0.3058
Echinococcus multilocularis dro:myosuppressin receptor 0.0073 0.2055 0.3058
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0073 0.2055 0.3058
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0073 0.2055 0.3058
Mycobacterium ulcerans bifunctional phosphoribosylaminoimidazolecarboxamide formyltransferase/IMP cyclohydrolase 0.0293 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Schistosoma mansoni myosin xvIII 0.0073 0.2055 0.3058
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.2307 0.2076
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0073 0.2055 0.3058
Brugia malayi Serotonin receptor 0.0073 0.2055 0.3058
Brugia malayi larval opioid receptor 0.0073 0.2055 0.3058
Brugia malayi putative neuropeptide receptor 0.0073 0.2055 0.3058
Onchocerca volvulus 0.0073 0.2055 1
Echinococcus multilocularis neuropeptide s receptor 0.0073 0.2055 0.3058
Brugia malayi G-protein coupled receptor 0.0073 0.2055 0.3058
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.2076 0.2076
Echinococcus granulosus histone deacetylase 1 0.0184 0.606 1
Onchocerca volvulus 0.0073 0.2055 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Brugia malayi Dopamine receptor protein 2 0.0073 0.2055 0.3058
Echinococcus granulosus tm gpcr rhodopsin 0.0073 0.2055 0.3058
Echinococcus multilocularis neuropeptide Y receptor 0.0073 0.2055 0.3058
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0073 0.2055 0.3058
Onchocerca volvulus Neuropeptide F receptor homolog 0.0073 0.2055 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0073 0.2055 0.3058
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.193 0.193
Schistosoma mansoni growth hormone secretagogue receptor 0.0073 0.2055 0.3058
Brugia malayi hypothetical protein 0.0073 0.2055 0.3058
Schistosoma mansoni hypothetical protein 0.0073 0.2055 0.3058
Schistosoma mansoni biogenic amine receptor 0.0073 0.2055 0.3058
Loa Loa (eye worm) histone deacetylase 11 0.0052 0.1323 0.1789
Onchocerca volvulus 0.0073 0.2055 1
Echinococcus granulosus tm gpcr rhodopsin 0.0073 0.2055 0.3058
Echinococcus granulosus neuropeptides capa receptor 0.0073 0.2055 0.3058
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0073 0.2055 1
Brugia malayi Histone deacetylase 1 0.0184 0.606 1
Echinococcus granulosus neuropeptide Y receptor 0.0073 0.2055 0.3058
Echinococcus granulosus dro:myosuppressin receptor 0.0073 0.2055 0.3058
Echinococcus granulosus rhodopsin orphan GPCR 0.0073 0.2055 0.3058
Schistosoma mansoni neuropeptide f receptor 76f 0.0073 0.2055 0.3058
Echinococcus granulosus histone deacetylase 6 0.0052 0.1323 0.1789
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.2307 0.3494
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0184 0.606 1
Echinococcus multilocularis histone deacetylase 8 0.0052 0.1323 0.1789
Echinococcus multilocularis neuropeptide receptor 0.0073 0.2055 0.3058
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0073 0.2055 0.3058
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0073 0.2055 0.3058
Echinococcus granulosus biogenic amine 5HT receptor 0.0073 0.2055 0.3058
Trichomonas vaginalis histone deacetylase, putative 0.0184 0.606 1
Leishmania major histone deacetylase, putative 0.0052 0.1323 0.0983
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0073 0.2055 0.3058
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2076 0.3094
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Brugia malayi hypothetical protein 0.0073 0.2055 0.3058
Leishmania major histone deacetylase, putative 0.0184 0.606 1
Giardia lamblia Histone deacetylase 0.0184 0.606 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0073 0.2055 0.3058
Onchocerca volvulus 0.0073 0.2055 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0073 0.2055 0.3058
Schistosoma mansoni neuropeptide receptor 0.0073 0.2055 0.3058
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.1762 0.255
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Onchocerca volvulus 0.0073 0.2055 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Echinococcus granulosus histone deacetylase 0.0052 0.1323 0.1789
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.193 0.2841
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0073 0.2055 0.3058
Echinococcus granulosus histone deacetylase 3 0.0184 0.606 1
Toxoplasma gondii histone deacetylase HDAC4 0.0052 0.1323 0.0983
Echinococcus multilocularis g protein coupled receptor 0.0073 0.2055 0.3058
Echinococcus multilocularis serotonin receptor 0.0073 0.2055 0.3058
Echinococcus granulosus g protein coupled receptor 0.0073 0.2055 0.3058
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0073 0.2055 0.3058
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0073 0.2055 0.3058
Leishmania major histone deacetylase, putative 0.0052 0.1323 0.0983
Echinococcus multilocularis neuropeptide receptor 0.0073 0.2055 0.3058
Schistosoma mansoni opsin-like receptor 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0073 0.2055 0.3058
Echinococcus multilocularis G-protein coupled receptor, putative 0.0073 0.2055 0.3058
Brugia malayi hypothetical protein 0.0073 0.2055 0.3058
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Trichomonas vaginalis protein phosphatase 2C, putative 0.014 0.4497 0.7361
Toxoplasma gondii histone deacetylase HDAC2 0.0184 0.606 1
Onchocerca volvulus 0.0073 0.2055 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0073 0.2055 0.3058
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0073 0.2055 0.3058
Trypanosoma cruzi histone deacetylase 1, putative 0.0184 0.606 1
Brugia malayi histone deacetylase 3 (HD3) 0.0184 0.606 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0073 0.2055 0.3058
Echinococcus multilocularis histone deacetylase 6 0.0052 0.1323 0.1789
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Schistosoma mansoni histone deacetylase hda2 0.0052 0.1323 0.1789
Echinococcus granulosus g protein coupled receptor 0.0073 0.2055 0.3058
Schistosoma mansoni opsin-like receptor 0.0073 0.2055 0.3058
Brugia malayi neuropeptide F receptor 0.0073 0.2055 0.3058
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.193 0.2139
Echinococcus multilocularis g protein coupled receptor 0.0073 0.2055 0.3058
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.2076 0.3094
Echinococcus granulosus alpha 1A adrenergic receptor 0.0073 0.2055 0.3058
Loa Loa (eye worm) neuropeptide F receptor 0.0073 0.2055 0.3058
Brugia malayi Dopamine receptor protein 1 0.0073 0.2055 0.3058
Echinococcus granulosus sex peptide receptor 0.0073 0.2055 0.3058
Brugia malayi G-protein coupled receptor 0.0073 0.2055 0.3058
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0073 0.2055 0.3058
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.2307 0.3494
Echinococcus granulosus neuropeptide Y receptor 0.0073 0.2055 0.3058
Echinococcus granulosus rhodopsin orphan GPCR 0.0073 0.2055 0.3058
Schistosoma mansoni biogenic amine (5HT) receptor 0.0073 0.2055 0.3058
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.193 0.193
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.1096 0.1396
Schistosoma mansoni neuropeptide F-like receptor 0.0073 0.2055 0.3058
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0073 0.2055 0.3058
Schistosoma mansoni adenoreceptor 0.0073 0.2055 0.3058
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0073 0.2055 0.3058
Schistosoma mansoni aspartate carbamoyltransferase 0.0038 0.0807 0.0894
Brugia malayi hypothetical protein 0.0073 0.2055 0.3058
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0073 0.2055 0.3058
Schistosoma mansoni amine GPCR 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Echinococcus multilocularis neuropeptide Y receptor 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0073 0.2055 0.3058
Brugia malayi GnHR receptor homolog 0.0073 0.2055 0.3058
Loa Loa (eye worm) histone deacetylase 7A 0.0052 0.1323 0.1789
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0073 0.2055 0.3058
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0073 0.2055 0.3058
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.1836 0.2678
Echinococcus granulosus tm gpcr rhodopsin 0.0073 0.2055 0.3058
Echinococcus granulosus neuropeptide receptor A26 0.0073 0.2055 0.3058
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0073 0.2055 0.3058
Onchocerca volvulus 0.0073 0.2055 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0073 0.2055 0.3058
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.193 0.2841
Echinococcus granulosus tachykinin peptides receptor 99D 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0184 0.606 1
Brugia malayi hypothetical protein 0.0073 0.2055 0.3058
Schistosoma mansoni neuropeptide receptor 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Onchocerca volvulus 0.0073 0.2055 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2076 0.2076
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0073 0.2055 0.3058
Echinococcus granulosus rhodopsin orphan GPCR 0.0073 0.2055 0.3058
Echinococcus granulosus neuropeptide receptor 0.0073 0.2055 0.3058
Brugia malayi histone deacetylase 1 (HD1) 0.0184 0.606 1
Entamoeba histolytica histone deacetylase, putative 0.0184 0.606 1
Brugia malayi hypothetical protein 0.0073 0.2055 0.3058
Echinococcus granulosus allatostatin A receptor 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0038 0.0807 0.0807
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2076 0.2076
Echinococcus granulosus g-protein coupled receptor 0.0073 0.2055 0.3058
Onchocerca volvulus 0.0073 0.2055 1
Leishmania major histone deacetylase, putative 0.0184 0.606 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.2307 0.3494
Schistosoma mansoni amine GPCR 0.0073 0.2055 0.3058
Brugia malayi sulfakinin receptor protein 0.0073 0.2055 0.3058
Loa Loa (eye worm) G-protein coupled receptor 0.0073 0.2055 0.3058
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0073 0.2055 0.3058
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.2076 0.3094
Echinococcus multilocularis rhodopsin orphan GPCR 0.0073 0.2055 0.3058
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0073 0.2055 0.3058
Echinococcus granulosus peptide allatostatin:somatostatin 0.0073 0.2055 0.3058
Brugia malayi follicle stimulating hormone receptor 0.0073 0.2055 0.3058
Echinococcus granulosus neuropeptides capa receptor 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Echinococcus multilocularis histone deacetylase 6 0.0052 0.1323 0.1789
Brugia malayi Histone deacetylase family protein 0.0052 0.1323 0.1789
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0073 0.2055 0.3058
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0073 0.2055 0.3058
Brugia malayi hypothetical protein 0.0073 0.2055 0.3058
Loa Loa (eye worm) histone deacetylase 1 0.0184 0.606 1
Brugia malayi Melatonin receptor type 1A 0.0073 0.2055 0.3058
Echinococcus multilocularis histone deacetylase 7 0.0052 0.1323 0.1789
Schistosoma mansoni neuropeptide receptor 0.0073 0.2055 0.3058
Trichomonas vaginalis histone deacetylase, putative 0.0184 0.606 1
Echinococcus granulosus histone deacetylase 7 0.0052 0.1323 0.1789
Schistosoma mansoni histone deacetylase hda2 0.0052 0.1323 0.1789
Onchocerca volvulus 0.0073 0.2055 1
Trichomonas vaginalis histone deacetylase, putative 0.0184 0.606 1
Onchocerca volvulus 0.0073 0.2055 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0073 0.2055 0.3058
Echinococcus multilocularis rhodopsin orphan GPCR 0.0073 0.2055 0.3058
Toxoplasma gondii histone deacetylase HDAC1 0.0052 0.1323 0.0983
Onchocerca volvulus Histone deacetylase 10 homolog 0.0052 0.1323 0.5851
Echinococcus multilocularis g-protein coupled receptor 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Plasmodium falciparum histone deacetylase 1 0.0184 0.606 1
Echinococcus multilocularis histone deacetylase 1 0.0184 0.606 1
Onchocerca volvulus 0.0073 0.2055 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0073 0.2055 0.3058
Schistosoma mansoni biogenic amine receptor 0.0073 0.2055 0.3058
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0073 0.2055 0.3058
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0073 0.2055 0.3058
Echinococcus granulosus rhodopsin orphan GPCR 0.0073 0.2055 0.3058
Echinococcus multilocularis sex peptide receptor 0.0073 0.2055 0.3058
Toxoplasma gondii histone deacetylase HDAC3 0.0184 0.606 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Schistosoma mansoni histone deacetylase 0.0184 0.606 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.2055 0.3058
Echinococcus granulosus histone deacetylase 8 0.0052 0.1323 0.1789
Brugia malayi Tachykinin-like peptides receptor 99D 0.0073 0.2055 0.3058
Schistosoma mansoni opsin-like receptor 0.0073 0.2055 0.3058
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0073 0.2055 0.3058
Loa Loa (eye worm) hypothetical protein 0.014 0.449 0.7278
Schistosoma mansoni histone deacetylase 4 5 0.0052 0.1323 0.1789
Schistosoma mansoni biogenic amine (5HT) receptor 0.0073 0.2055 0.3058
Loa Loa (eye worm) histone deacetylase 0.0052 0.1323 0.1789
Plasmodium falciparum histone deacetylase 2 0.0052 0.1323 0.1789
Echinococcus granulosus histone deacetylase 6 0.0052 0.1323 0.1789
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0073 0.2055 0.3058
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0073 0.2055 0.3058
Echinococcus multilocularis allatostatin A receptor 0.0073 0.2055 0.3058

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-cyp3a4 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-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
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 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) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (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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