Detailed information for compound 168720

Basic information

Technical information
  • TDR Targets ID: 168720
  • Name: 5-(propylaminomethyl)thieno[2,3-b]furan-2-sul fonamide
  • MW: 274.36 | Formula: C10H14N2O3S2
  • H donors: 2 H acceptors: 2 LogP: 1.54 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCNCc1cc2c(s1)oc(c2)S(=O)(=O)N
  • InChi: 1S/C10H14N2O3S2/c1-2-3-12-6-8-4-7-5-9(17(11,13)14)15-10(7)16-8/h4-5,12H,2-3,6H2,1H3,(H2,11,13,14)
  • InChiKey: XEAIBUNVRIOXEM-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-(propylaminomethyl)-2-thieno[2,3-b]furansulfonamide
  • 5-(propylaminomethyl)thieno[3,2-d]furan-2-sulfonamide
  • 5-(propylaminomethyl)-2-thieno[3,2-d]furansulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens carbonic anhydrase II Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Echinococcus granulosus carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Brugia malayi Eukaryotic-type carbonic anhydrase family protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma brucei gambiense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma brucei carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania major carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania donovani carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Loa Loa (eye worm) carbonic anhydrase 3 Get druggable targets OG5_127628 All targets in OG5_127628
Echinococcus multilocularis carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
Brugia malayi Putative carbonic anhydrase 5 precursor Get druggable targets OG5_127628 All targets in OG5_127628
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania infantum carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania braziliensis carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Get druggable targets OG5_127628 All targets in OG5_127628

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Carbonic anhydrase like protein 2 precursor carbonic anhydrase II 260 aa 259 aa 32.0 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Mycobacterium ulcerans carboxylesterase, LipT 0.0471 0.1583 1
Schistosoma mansoni pyruvate carboxylase 0.0195 0.0581 0.0581
Echinococcus multilocularis serotonin receptor 0.0038 0.0009 0.0009
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0195 0.0581 0.0581
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0089 0.0196 0.0196
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0038 0.0009 0.0009
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.0196 0.0196
Brugia malayi MH2 domain containing protein 0.0117 0.0296 0.0296
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0009 0.0009
Brugia malayi Serotonin receptor 0.0038 0.0009 0.0009
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.0494 0.1668 0.1668
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0147 0.0407 0.1592
Onchocerca volvulus 0.0038 0.0009 0.0055
Onchocerca volvulus 0.0038 0.0009 0.0055
Brugia malayi AKH receptor 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0471 0.1583 0.1583
Loa Loa (eye worm) hypothetical protein 0.0471 0.1583 0.1583
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0089 0.0196 0.0196
Echinococcus granulosus neuropeptide FF receptor 2 0.0038 0.0009 0.0009
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0009 0.0009
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0195 0.0581 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0038 0.0009 0.0009
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0195 0.0581 0.2272
Brugia malayi Dopamine receptor protein 2 0.0038 0.0009 0.0009
Schistosoma mansoni hypothetical protein 0.0038 0.0009 0.0009
Loa Loa (eye worm) acetylcholinesterase 1 0.2786 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.0196 0.0196
Leishmania major carbamoyl-phosphate synthase, putative 0.0044 0.0032 0.0126
Mycobacterium tuberculosis Carboxylesterase LipT 0.0471 0.1583 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0044 0.0032 0.0126
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Brugia malayi ORL1-like opioid receptor 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0038 0.0009 0.0009
Brugia malayi hypothetical protein 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Echinococcus granulosus neuropeptide receptor 0.0038 0.0009 0.0009
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0739 0.2557 1
Echinococcus granulosus neuropeptide s receptor 0.0038 0.0009 0.0009
Trichomonas vaginalis spcc417.12 protein, putative 0.0471 0.1583 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Echinococcus multilocularis acetylcholinesterase 0.2786 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0009 0.0009
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0371 0.1219 1
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0069 0.0124 0.2139
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0069 0.0124 0.0785
Echinococcus multilocularis orexin receptor type 2 0.0038 0.0009 0.0009
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.0512 0.1733 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0038 0.0009 0.0009
Leishmania major acetyl-CoA carboxylase, putative 0.0512 0.1733 0.6779
Echinococcus multilocularis acetylcholinesterase 0.2786 1 1
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0069 0.0124 0.0486
Loa Loa (eye worm) neuropeptide F receptor 0.0038 0.0009 0.0009
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.0689 0.4354
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0069 0.0124 0.2139
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.005 0.005
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0038 0.0009 0.0009
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0038 0.0009 0.0009
Schistosoma mansoni hypothetical protein 0.0166 0.0474 0.0474
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0195 0.0581 0.3669
Leishmania major carbonic anhydrase-like protein 0.0147 0.0407 0.1592
Echinococcus granulosus alpha 1A adrenergic receptor 0.0038 0.0009 0.0009
Brugia malayi hypothetical protein 0.0038 0.0009 0.0009
Echinococcus granulosus g protein coupled receptor 0.0038 0.0009 0.0009
Onchocerca volvulus 0.0038 0.0009 0.0055
Loa Loa (eye worm) TYRA-2 protein 0.0038 0.0009 0.0009
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0009 0.0009
Schistosoma mansoni growth hormone secretagogue receptor 0.0038 0.0009 0.0009
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0087 0.0189 1
Loa Loa (eye worm) carboxylesterase 0.0471 0.1583 0.1583
Schistosoma mansoni hypothetical protein 0.0035 0.0001 0.0001
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0296 0.0296
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0147 0.0407 0.0407
Echinococcus multilocularis microtubule associated protein 2 0.0679 0.234 0.234
Brugia malayi G-protein coupled receptor 0.0038 0.0009 0.0009
Brugia malayi hypothetical protein 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0038 0.0009 0.0009
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0038 0.0009 0.0009
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0009 0.0009
Schistosoma mansoni alpha-1 adrenergic receptor 0.0038 0.0009 0.0009
Onchocerca volvulus 0.0038 0.0009 0.0055
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0038 0.0009 0.0009
Echinococcus multilocularis neuropeptides capa receptor 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.2786 1 1
Onchocerca volvulus Huntingtin homolog 0.0121 0.031 0.1959
Onchocerca volvulus 0.0038 0.0009 0.0055
Echinococcus granulosus 7tm_1 domain containing protein 0.0038 0.0009 0.0009
Echinococcus granulosus microtubule associated protein 2 0.0679 0.234 0.234
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0087 0.0189 0.5
Schistosoma mansoni hypothetical protein 0.0038 0.0009 0.0009
Trypanosoma brucei carbonic anhydrase-like protein 0.0147 0.0407 0.1592
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0009 0.0009
Brugia malayi follicle stimulating hormone receptor 0.0038 0.0009 0.0009
Schistosoma mansoni opsin-like receptor 0.0038 0.0009 0.0009
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0038 0.0009 0.0055
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0069 0.0124 0.0785
Loa Loa (eye worm) hypothetical protein 0.0121 0.031 0.031
Loa Loa (eye worm) hypothetical protein 0.0471 0.1583 0.1583
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0044 0.0032 0.0032
Echinococcus multilocularis neuropeptide FF receptor 2 0.0038 0.0009 0.0009
Echinococcus multilocularis serotonin receptor 0.0038 0.0009 0.0009
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0009 0.0009
Echinococcus multilocularis somatostatin receptor 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Schistosoma mansoni acetyl-CoA carboxylase 0.0512 0.1733 0.1733
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0082 0.0169 0.0169
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0371 0.1219 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0009 0.0009
Echinococcus multilocularis para nitrobenzyl esterase 0.0471 0.1583 0.1583
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Echinococcus multilocularis neuropeptides capa receptor 0.0038 0.0009 0.0009
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0147 0.0407 0.0407
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0044 0.0032 0.0265
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0038 0.0009 0.0009
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0038 0.0009 0.0009
Echinococcus multilocularis sex peptide receptor 0.0038 0.0009 0.0009
Schistosoma mansoni neuroligin 3 (S09 family) 0.0471 0.1583 0.1583
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0038 0.0009 0.0009
Schistosoma mansoni amine GPCR 0.0038 0.0009 0.0009
Echinococcus granulosus BC026374 protein S09 family 0.0471 0.1583 0.1583
Onchocerca volvulus Huntingtin homolog 0.0121 0.031 0.1959
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0044 0.0032 0.0126
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0009 0.0009
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.0512 0.1733 0.1733
Echinococcus multilocularis g protein coupled receptor 0.0038 0.0009 0.0009
Schistosoma mansoni neuropeptide receptor 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Echinococcus granulosus tm gpcr rhodopsin 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Onchocerca volvulus 0.0471 0.1583 1
Trypanosoma cruzi acetyl-CoA carboxylase 0.0317 0.1024 0.4006
Echinococcus multilocularis carboxylesterase 5A 0.2786 1 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0038 0.0009 0.0009
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0009 0.0009
Onchocerca volvulus 0.0038 0.0009 0.0055
Mycobacterium ulcerans pyruvate carboxylase 0.0195 0.0581 0.3669
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0069 0.0124 0.0486
Echinococcus granulosus neuropeptides capa receptor 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Schistosoma mansoni opsin-like receptor 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0049 0.005 0.005
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0038 0.0009 0.0009
Brugia malayi Carboxylesterase family protein 0.0471 0.1583 0.1583
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0069 0.0124 0.0486
Echinococcus multilocularis BC026374 protein (S09 family) 0.0471 0.1583 0.1583
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Schistosoma mansoni microtubule-associated protein tau 0.0679 0.234 0.234
Brugia malayi Carboxylesterase family protein 0.2786 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0044 0.0032 0.0204
Echinococcus granulosus dro:myosuppressin receptor 0.0038 0.0009 0.0009
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0195 0.0581 0.3669
Echinococcus multilocularis G-protein coupled receptor, putative 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Onchocerca volvulus 0.0038 0.0009 0.0055
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0069 0.0124 0.0486
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.0169 0.0169
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0739 0.2557 0.2557
Echinococcus multilocularis geminin 0.0166 0.0474 0.0474
Brugia malayi hypothetical protein 0.0038 0.0009 0.0009
Echinococcus multilocularis dro:myosuppressin receptor 0.0038 0.0009 0.0009
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0038 0.0009 0.0009
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0009 0.0009
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.005 0.005
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0044 0.0032 0.0126
Schistosoma mansoni hypothetical protein 0.0038 0.0009 0.0009
Onchocerca volvulus 0.0471 0.1583 1
Loa Loa (eye worm) neuropeptide F receptor 0.0038 0.0009 0.0009
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0195 0.0581 0.3669
Brugia malayi G protein-coupled receptor F59B2.13 0.0038 0.0009 0.0009
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0069 0.0124 0.0785
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0009 0.0009
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0147 0.0407 0.0407
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0195 0.0581 0.0581
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0038 0.0009 0.0009
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0069 0.0124 0.0486
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0009 0.0009
Brugia malayi GnHR receptor homolog 0.0038 0.0009 0.0009
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0009 0.0009
Brugia malayi hypothetical protein 0.0038 0.0009 0.0009
Schistosoma mansoni BC026374 protein (S09 family) 0.0471 0.1583 0.1583
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0069 0.0124 0.0124
Onchocerca volvulus 0.0038 0.0009 0.0055
Brugia malayi hypothetical protein 0.0471 0.1583 0.1583
Echinococcus granulosus biogenic amine 5HT receptor 0.0038 0.0009 0.0009
Echinococcus multilocularis neuropeptide receptor A26 0.0038 0.0009 0.0009
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0195 0.0581 0.2272
Schistosoma mansoni adenoreceptor 0.0038 0.0009 0.0009
Echinococcus granulosus peptide allatostatin:somatostatin 0.0038 0.0009 0.0009
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0009 0.0009
Onchocerca volvulus 0.0038 0.0009 0.0055
Echinococcus granulosus g protein coupled receptor 0.0038 0.0009 0.0009
Leishmania major carboxylase, putative 0.0195 0.0581 0.2272
Brugia malayi larval opioid receptor 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Echinococcus granulosus carboxylesterase 5A 0.2786 1 1
Brugia malayi G-protein coupled receptor 0.0038 0.0009 0.0009
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0195 0.0581 0.3669
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0471 0.1583 0.1583
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0471 0.1583 0.1583
Chlamydia trachomatis biotin carboxylase 0.0177 0.0516 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0038 0.0009 0.0009
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0038 0.0009 0.0009
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Brugia malayi Carboxyl transferase domain containing protein 0.0494 0.1668 0.1668
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Schistosoma mansoni neuropeptide f receptor 76f 0.0038 0.0009 0.0009
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0471 0.1583 1
Echinococcus granulosus sex peptide receptor 0.0038 0.0009 0.0009
Echinococcus granulosus allatostatin A receptor 0.0038 0.0009 0.0009
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0038 0.0009 0.0009
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0471 0.1583 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0038 0.0009 0.0009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0196 0.0196
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0069 0.0124 0.0785
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Trypanosoma brucei C-8 sterol isomerase, putative 0.0739 0.2557 1
Echinococcus granulosus acetylcholinesterase 0.2786 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0471 0.1583 0.1583
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0069 0.0124 0.0785
Echinococcus granulosus acetylcholinesterase 0.2786 1 1
Brugia malayi sulfakinin receptor protein 0.0038 0.0009 0.0009
Brugia malayi hypothetical protein 0.0035 0.0001 0.0001
Brugia malayi hypothetical protein 0.0038 0.0009 0.0009
Schistosoma mansoni opsin-like receptor 0.0038 0.0009 0.0009
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0038 0.0009 0.0009
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0147 0.0407 0.0407
Brugia malayi Carboxylesterase family protein 0.0471 0.1583 0.1583
Echinococcus granulosus serotonin receptor 0.0038 0.0009 0.0009
Echinococcus granulosus G protein coupled receptor 139 0.0038 0.0009 0.0009
Brugia malayi Carboxylesterase family protein 0.0471 0.1583 0.1583
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0069 0.0124 0.0785
Onchocerca volvulus 0.0038 0.0009 0.0055
Schistosoma mansoni biogenic amine (5HT) receptor 0.0038 0.0009 0.0009
Schistosoma mansoni acetylcholinesterase 0.0471 0.1583 0.1583
Brugia malayi Dopamine receptor protein 1 0.0038 0.0009 0.0009
Leishmania major C-8 sterol isomerase-like protein 0.0739 0.2557 1
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0044 0.0032 0.0032
Echinococcus multilocularis neuropeptide s receptor 0.0038 0.0009 0.0009
Echinococcus multilocularis G protein coupled receptor 139 0.0038 0.0009 0.0009
Echinococcus granulosus g-protein coupled receptor 0.0038 0.0009 0.0009
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0038 0.0009 0.0009
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0069 0.0124 0.0717
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Onchocerca volvulus 0.0471 0.1583 1
Schistosoma mansoni hypothetical protein 0.0038 0.0009 0.0009
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0195 0.0581 0.2272
Onchocerca volvulus 0.0038 0.0009 0.0055
Echinococcus granulosus somatostatin receptor 0.0038 0.0009 0.0009
Echinococcus granulosus acetyl coenzyme A carboxylase 1 0.0512 0.1733 0.1733
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0038 0.0009 0.0009
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0038 0.0009 0.0009
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0038 0.0009 0.0009
Onchocerca volvulus Neuropeptide F receptor homolog 0.0038 0.0009 0.0055
Loa Loa (eye worm) carbonic anhydrase 3 0.0147 0.0407 0.0407
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Schistosoma mansoni biogenic amine receptor 0.0038 0.0009 0.0009
Brugia malayi RE15519p 0.0038 0.0009 0.0009
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0471 0.1583 0.1583
Schistosoma mansoni biogenic amine receptor 0.0038 0.0009 0.0009
Echinococcus multilocularis neuropeptide receptor 0.0038 0.0009 0.0009
Echinococcus multilocularis fmrfamide receptor 0.0038 0.0009 0.0009
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0038 0.0009 0.0009
Schistosoma mansoni aspartate carbamoyltransferase 0.0044 0.0032 0.0032
Brugia malayi Melatonin receptor type 1A 0.0038 0.0009 0.0009
Echinococcus multilocularis g protein coupled receptor 0.0038 0.0009 0.0009
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0069 0.0124 0.0124
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Schistosoma mansoni gliotactin 0.0471 0.1583 0.1583
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0038 0.0009 0.0009
Brugia malayi hypothetical protein 0.0038 0.0009 0.0009
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0038 0.0009 0.0009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0471 0.1583 0.1583
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Schistosoma mansoni biogenic amine (5HT) receptor 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0121 0.031 0.031
Echinococcus granulosus para nitrobenzyl esterase 0.0471 0.1583 0.1583
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0147 0.0407 0.1592
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0038 0.0009 0.0009
Echinococcus granulosus tm gpcr rhodopsin 0.0038 0.0009 0.0009
Schistosoma mansoni neuropeptide receptor 0.0038 0.0009 0.0009
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0038 0.0009 0.0009
Schistosoma mansoni amine GPCR 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0378 0.1244 0.1244
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0038 0.0009 0.0009
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0195 0.0581 0.0581
Schistosoma mansoni neuropeptide F-like receptor 0.0038 0.0009 0.0009
Schistosoma mansoni histamine h1 receptor 0.0038 0.0009 0.0009
Echinococcus granulosus geminin 0.0166 0.0474 0.0474
Onchocerca volvulus 0.0038 0.0009 0.0055
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.0169 0.0169
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0001 0.0001
Onchocerca volvulus 0.0038 0.0009 0.0055
Onchocerca volvulus 0.0082 0.0169 0.107
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Onchocerca volvulus 0.0471 0.1583 1
Brugia malayi neuropeptide F receptor 0.0038 0.0009 0.0009
Schistosoma mansoni neuropeptide F-like receptor 0.0038 0.0009 0.0009
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0038 0.0009 0.0009
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0038 0.0009 0.0009
Echinococcus granulosus g protein coupled receptor 0.0038 0.0009 0.0009
Brugia malayi hypothetical protein 0.0121 0.031 0.031
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0069 0.0124 0.0124
Brugia malayi putative neuropeptide receptor 0.0038 0.0009 0.0009
Echinococcus granulosus neuropeptide receptor 0.0038 0.0009 0.0009
Echinococcus granulosus biogenic amine 5HT receptor 0.0038 0.0009 0.0009
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0069 0.0124 0.1676
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0038 0.0009 0.0009
Echinococcus multilocularis neuropeptide Y receptor 0.0038 0.0009 0.0009
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0038 0.0009 0.0009
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0038 0.0009 0.0009
Echinococcus granulosus tachykinin peptides receptor 99D 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0038 0.0009 0.0009
Loa Loa (eye worm) G-protein coupled receptor 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.0512 0.1733 1
Schistosoma mansoni neuropeptide receptor 0.0038 0.0009 0.0009
Echinococcus multilocularis g-protein coupled receptor 0.0038 0.0009 0.0009
Echinococcus multilocularis neuroligin 0.0471 0.1583 0.1583
Schistosoma mansoni myosin xvIII 0.0038 0.0009 0.0009
Loa Loa (eye worm) carboxylesterase 0.0471 0.1583 0.1583
Brugia malayi Serotonin receptor 0.0038 0.0009 0.0009
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0038 0.0009 0.0009
Echinococcus granulosus orexin receptor type 2 0.0038 0.0009 0.0009
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0147 0.0407 0.0407
Trypanosoma brucei acetyl-CoA carboxylase 0.0512 0.1733 0.6779
Schistosoma mansoni amine GPCR 0.0038 0.0009 0.0009
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0296 0.0296
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0798 0.2772 0.2772
Loa Loa (eye worm) G-protein coupled receptor 0.0038 0.0009 0.0009
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.0169 0.0169
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0009 0.0009
Echinococcus multilocularis neuropeptide receptor 0.0038 0.0009 0.0009
Onchocerca volvulus 0.0471 0.1583 1
Loa Loa (eye worm) carboxylesterase 0.2786 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0195 0.0581 1
Brugia malayi neuropeptide F receptor 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0009 0.0009
Echinococcus granulosus hypothetical protein 0.0038 0.0009 0.0009
Brugia malayi hypothetical protein 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0739 0.2557 0.2557
Onchocerca volvulus 0.0038 0.0009 0.0055
Schistosoma mansoni biogenic amine receptor 0.0038 0.0009 0.0009
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0195 0.0581 0.2272
Echinococcus granulosus neuropeptides capa receptor 0.0038 0.0009 0.0009
Echinococcus multilocularis fmrfamide receptor 0.0038 0.0009 0.0009
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0069 0.0124 0.0785
Brugia malayi hypothetical protein 0.0038 0.0009 0.0009
Brugia malayi G protein-coupled receptor 0.0038 0.0009 0.0009
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0471 0.1583 0.1583
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0038 0.0009 0.0009
Brugia malayi Carboxylesterase family protein 0.0471 0.1583 0.1583
Onchocerca volvulus 0.0038 0.0009 0.0055
Echinococcus granulosus neuropeptide receptor A26 0.0038 0.0009 0.0009
Trypanosoma brucei unspecified product 0.0128 0.0338 0.1322
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0195 0.0581 0.2272
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0009 0.0009
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0009 0.0009
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Echinococcus multilocularis carbonic anhydrase II 0.0147 0.0407 0.0407
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.0196 0.0196
Schistosoma mansoni neuropeptide receptor 0.0038 0.0009 0.0009
Echinococcus granulosus carbonic anhydrase II 0.0147 0.0407 0.0407
Onchocerca volvulus 0.0038 0.0009 0.0055
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.0169 0.0169
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0471 0.1583 1
Toxoplasma gondii carbamoylphosphate synthetase 0.0044 0.0032 0.0186
Echinococcus granulosus neuropeptide Y receptor 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0471 0.1583 0.1583
Echinococcus granulosus tm gpcr rhodopsin 0.0038 0.0009 0.0009
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0195 0.0581 0.0581
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.0196 0.0196
Brugia malayi hypothetical protein 0.0038 0.0009 0.0009
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0038 0.0009 0.0009
Echinococcus granulosus neuropeptide Y receptor 0.0038 0.0009 0.0009
Echinococcus multilocularis allatostatin A receptor 0.0038 0.0009 0.0009
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.2786 1 1
Echinococcus granulosus neuroligin 0.0471 0.1583 0.1583
Echinococcus multilocularis neuropeptide Y receptor 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0471 0.1583 0.1583
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0471 0.1583 0.1583
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Loa Loa (eye worm) melatonin receptor type 1A 0.0038 0.0009 0.0009
Schistosoma mansoni hypothetical protein 0.0166 0.0474 0.0474
Toxoplasma gondii pyruvate carboxylase 0.0195 0.0581 0.3352
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0009 0.0009
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0038 0.0009 0.0009
Onchocerca volvulus 0.0038 0.0009 0.0055
Brugia malayi putative neuropeptide receptor NPR1 0.0038 0.0009 0.0009
Echinococcus granulosus fmrfamide receptor 0.0038 0.0009 0.0009
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0038 0.0009 0.0009
Brugia malayi Dopamine receptor 0.0038 0.0009 0.0009
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0001 0.0001
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0069 0.0124 0.2139
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009
Echinococcus multilocularis g protein coupled receptor 0.0038 0.0009 0.0009
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0069 0.0124 0.0785
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0069 0.0124 0.0486
Schistosoma mansoni amine GPCR 0.0038 0.0009 0.0009
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0195 0.0581 0.3669
Loa Loa (eye worm) hypothetical protein 0.2786 1 1
Schistosoma mansoni amine GPCR 0.0038 0.0009 0.0009
Echinococcus granulosus 7TM GPCR rhodopsin 0.0038 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0009 0.0009

Activities

Activity type Activity value Assay description Source Reference
I50 (binding) = 0.000000008 M Inhibition of human erythrocyte carbonic anhydrase II ChEMBL. 1501230
IC50 (binding) = 0.000000008 M Inhibition of human erythrocyte carbonic anhydrase II ChEMBL. 1501230
Inhibition (functional) = 63 % Inhibition of albino rabbit iris and ciliary body carbonic anhydrase II after topical administration ex vivo ChEMBL. 1501230
Inhibition (functional) = 63 % Inhibition of albino rabbit iris and ciliary body carbonic anhydrase II after topical administration ex vivo ChEMBL. 1501230
Inhibition (functional) = 89 % Inhibition of albino rabbit iris and ciliary body carbonic anhydrase II after topical administration ex vivo ChEMBL. 1501230
Inhibition (functional) = 89 % Inhibition of albino rabbit iris and ciliary body carbonic anhydrase II after topical administration ex vivo ChEMBL. 1501230
PC = 1.06 Partition coefficient(PC) was determined by equilibrating compound between 1-octanol and 0.1 ionic strength pH 7.4 buffer ChEMBL. 1501230
Pigment binding (functional) = 68 % Percentage binding of the compound to bovine iris and ciliary body ChEMBL. 1501230
pKa = 7.85 pKa of the compound was determined in water ChEMBL. 1501230
pKa = 9.4 pKa of the compound was determined in 30% ethanol ChEMBL. 1501230
Solubility > 22.5 mg ml-1 Solubility of the compound was evaluated in water at 25 degree centigrade ChEMBL. 1501230

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

Bibliographic References

1 literature reference was collected for this gene.

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